data_2mji_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 2mji _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.868 0.366 . . . . 0.35 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.441 ' CZ ' ' CD2' ' A' ' 89' ' ' LEU . 1.9 m-85 -89.5 -48.86 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.35 110.901 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.47 110.84 0.61 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.202 -0.454 . . . . 0.35 110.969 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.4 178.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.409 . . . . 0.35 111.124 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.2 m -88.79 121.0 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.054 -0.721 . . . . 0.35 109.054 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.849 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 19.3 m0 -114.46 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.512 0.672 . . . . 0.35 112.091 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.519 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -120.53 112.98 19.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.796 -1.093 . . . . 0.35 110.255 178.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.2 139.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.35 111.098 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -100.84 -73.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.378 -0.374 . . . . 0.35 111.222 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.539 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.1 ptp85 -118.39 161.82 19.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.35 110.863 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.486 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 12.7 p -139.04 161.97 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.35 111.105 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -138.99 129.64 26.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.35 110.676 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 5.8 m-20 59.6 16.59 5.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.124 0.488 . . . . 0.35 111.19 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.51 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 9.4 t80 -56.74 -44.49 81.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.432 -0.581 . . . . 0.35 109.432 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 18' ' ' MET . 24.6 t0 -57.7 -30.63 65.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.823 -0.626 . . . . 0.35 109.616 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HG2' ' CG1' ' A' ' 122' ' ' VAL . 1.0 OUTLIER -51.97 -42.72 63.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.397 -0.819 . . . . 0.35 110.493 179.238 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.704 ' CD1' HG11 ' A' ' 122' ' ' VAL . 2.1 m-85 -71.09 -30.4 66.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.578 -0.737 . . . . 0.35 110.784 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.558 ' CG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -64.94 -32.05 73.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.35 111.181 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -87.75 -60.7 1.9 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.808 0.67 . . . . 0.35 112.808 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 122' ' ' VAL . 2.0 tptp -58.36 -38.19 76.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.35 111.36 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.451 ' HG2' ' CD2' ' A' ' 119' ' ' TYR . 4.9 mtm -90.08 -17.54 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.521 -0.309 . . . . 0.35 110.959 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.51 50.15 21.86 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.35 111.937 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 5.7 t -87.18 125.66 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.35 110.789 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -50.34 156.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.183 0.516 . . . . 0.35 111.236 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.436 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 14.4 tt -88.72 -40.21 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.566 -0.743 . . . . 0.35 111.242 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.5 t -52.84 -44.16 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.35 111.209 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -32.36 45.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.185 0.517 . . . . 0.35 109.953 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.558 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.2 tmm_? -73.24 -20.2 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.517 -0.765 . . . . 0.35 111.364 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -42.09 -56.43 2.85 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.93 0.344 . . . . 0.35 111.93 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.7 mt -98.22 -21.98 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.35 111.056 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.85 -14.67 59.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.35 111.576 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . . . -55.84 -48.24 75.83 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.043 0.386 . . . . 0.35 112.043 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.495 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 6.3 p-80 165.26 -39.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.804 0.335 . . . . 0.35 111.548 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 5.4 p30 -54.54 -58.06 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.35 111.878 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.53 63.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.967 0.413 . . . . 0.35 111.022 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -120.83 127.07 51.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.35 111.043 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.5 tppt? -115.52 119.98 37.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.88 -0.6 . . . . 0.35 109.872 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.849 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 4.9 tp -112.22 111.75 22.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.493 -0.776 . . . . 0.35 109.376 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.416 ' HB ' ' HB3' ' A' ' 50' ' ' LYS . 58.5 m -100.66 144.89 29.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.932 0.396 . . . . 0.35 111.519 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.423 HD12 ' CE2' ' A' ' 6' ' ' TRP . 77.3 mt -122.4 125.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 0.35 111.203 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.65 66.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.35 110.167 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.45 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 44.3 mt-30 -51.51 119.58 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.35 111.77 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.81 100.97 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.35 110.03 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.77 -128.87 45.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.481 -0.866 . . . . 0.35 111.691 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.69 15.11 8.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 117.288 0.544 . . . . 0.35 110.646 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -138.16 137.68 37.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.362 -0.381 . . . . 0.35 111.234 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' PHE . 10.6 m-30 -112.07 132.43 54.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.35 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.71 137.92 31.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.587 -0.279 . . . . 0.35 110.623 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.488 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 18.7 t -119.56 111.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.989 0.423 . . . . 0.35 111.514 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HB3' ' HB ' ' A' ' 39' ' ' THR . 16.8 tptm -107.01 111.79 24.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 0.35 110.109 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.9 mt-10 -96.9 134.1 40.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.071 0.462 . . . . 0.35 111.382 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -116.14 140.07 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.35 110.597 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.5 171.53 16.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.35 110.781 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.71 -69.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.35 111.259 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.52 -26.69 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.35 111.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 153.94 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.35 111.008 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.52 147.78 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.35 110.845 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 51' ' ' GLU . 3.3 mt -146.2 155.41 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.35 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 1.5 tt0 -169.41 144.22 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.35 110.838 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 62' ' ' PHE . 5.6 p -156.79 121.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.35 111.301 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.477 ' HB ' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -75.73 150.39 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.723 -0.473 . . . . 0.35 109.723 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 68' ' ' PHE . 21.6 m-30 -124.89 151.24 45.6 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 120.821 0.343 . . . . 0.35 110.487 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 19.2 tt0 -149.37 118.39 6.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.781 -0.645 . . . . 0.35 110.466 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.03 107.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.35 110.742 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.26 25.55 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.904 -0.665 . . . . 0.35 111.967 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 48.5 t -136.54 160.84 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.379 . . . . 0.35 110.412 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -84.07 148.3 26.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 0.35 112.221 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.585 ' CE1' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -83.28 153.82 24.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.296 -0.865 . . . . 0.35 109.806 179.16 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -136.55 126.59 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.35 111.436 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.35 110.546 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.696 0.284 . . . . 0.35 110.594 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -135.82 124.41 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.956 0.408 . . . . 0.35 111.242 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.791 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -128.1 125.13 38.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.35 110.921 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.642 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -146.03 -120.17 1.27 Allowed Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.01 -1.09 . . . . 0.35 112.815 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.3 p -158.02 175.45 13.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.923 0.392 . . . . 0.35 110.89 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.583 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -152.29 128.19 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.35 110.502 179.47 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.1 149.25 32.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.35 110.733 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.47 129.11 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.35 110.995 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -115.55 94.52 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.827 -0.624 . . . . 0.35 110.494 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.75 -103.77 1.7 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.642 -0.789 . . . . 0.35 112.223 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -114.53 20.98 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.638 0.256 . . . . 0.35 111.219 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -134.3 142.68 47.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.35 111.218 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.441 ' CD2' ' CZ ' ' A' ' 2' ' ' PHE . 3.8 pp -116.3 139.48 50.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.35 110.589 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.54 95.73 2.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.35 111.845 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.466 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -85.17 167.75 41.91 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.03 -0.605 . . . . 0.35 111.938 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' THR . 1.0 OUTLIER -154.88 158.64 39.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.026 0.441 . . . . 0.35 111.81 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 59.1 m-85 -144.88 171.45 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.35 109.984 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.791 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -153.71 127.31 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 0.35 110.195 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.463 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -77.1 145.69 37.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.026 0.441 . . . . 0.35 111.095 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.96 -20.27 49.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.535 -0.757 . . . . 0.35 110.981 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -50.69 -49.79 56.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.442 -0.345 . . . . 0.35 111.12 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -155.72 30.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.35 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.6 49.85 67.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.858 -0.687 . . . . 0.35 112.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.615 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 23.6 m120 -73.73 137.46 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.16 -0.311 . . . . 0.35 110.16 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.29 139.46 33.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.35 111.832 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 119' ' ' TYR . 4.5 tt -135.5 127.47 29.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.976 -1.011 . . . . 0.35 110.808 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.45 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 2.0 m120 -121.31 148.63 44.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.932 0.396 . . . . 0.35 111.663 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.422 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 4.7 t -146.81 128.39 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 0.35 110.885 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.27 114.82 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.35 111.153 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -105.93 116.36 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.35 110.82 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.18 155.42 25.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.35 110.72 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 113' ' ' LEU . 4.7 mm -91.32 93.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.35 110.538 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.558 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 6.1 tp -83.75 59.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.803 0.811 . . . . 0.35 110.717 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.69 -127.95 8.41 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 120.034 -1.079 . . . . 0.35 111.977 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.03 -4.3 40.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.751 -0.224 . . . . 0.35 111.149 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -128.5 175.63 8.38 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.027 0.441 . . . . 0.35 111.168 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.511 ' HG ' ' CZ3' ' A' ' 6' ' ' TRP . 1.7 mm? -121.35 130.5 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.35 111.188 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.24 108.02 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.35 109.783 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 5.3 mt-30 -98.08 139.94 33.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.203 0.525 . . . . 0.35 112.089 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.08 114.15 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.402 -0.817 . . . . 0.35 109.711 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -114.31 149.7 35.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.35 110.57 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 123' ' ' GLU . 10.0 p -139.29 143.21 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.35 110.616 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.497 ' CE1' ' CB ' ' A' ' 100' ' ' ASN . 68.4 t80 -155.34 104.02 2.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 0.35 110.072 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.9 OUTLIER 26.08 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.415 -0.811 . . . . 0.35 112.222 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 78.52 -19.57 4.78 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.928 -0.653 . . . . 0.35 114.292 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.704 HG11 ' CD1' ' A' ' 17' ' ' PHE . 54.1 t -107.18 108.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.388 0.594 . . . . 0.35 112.472 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.2 OUTLIER -115.96 117.76 31.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.897 -0.592 . . . . 0.35 109.75 178.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.518 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -119.49 135.75 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.35 111.071 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.12 164.83 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.264 -0.643 . . . . 0.35 109.264 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.471 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 7.4 ttp85 -159.96 114.43 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.102 -0.639 . . . . 0.35 112.622 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.539 HG12 ' HG3' ' A' ' 10' ' ' ARG . 4.0 mm -80.78 138.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.762 -0.829 . . . . 0.35 108.762 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.839 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 33.5 t80 -117.43 155.75 29.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.059 0.762 . . . . 0.35 113.059 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 38.4 mttm -142.77 161.38 38.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.65 -1.159 . . . . 0.35 109.197 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -108.71 151.55 26.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.494 . . . . 0.35 111.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.224 -0.893 . . . . 0.35 110.941 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.872 0.368 . . . . 0.35 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CE1' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -89.48 -55.22 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.35 110.863 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.35 110.641 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.3 -175.78 0.15 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.905 0.383 . . . . 0.35 111.3 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -88.95 116.62 27.37 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.231 -0.655 . . . . 0.35 109.231 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.845 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.5 m0 -114.37 125.89 54.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.689 0.757 . . . . 0.35 112.177 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.516 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -116.65 123.61 47.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.933 -1.03 . . . . 0.35 109.87 178.185 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 p -72.99 135.63 27.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.576 -0.738 . . . . 0.35 111.392 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.404 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 32.4 t70 -95.04 -75.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.35 111.221 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' CG ' ' CG1' ' A' ' 127' ' ' ILE . 0.0 OUTLIER -113.89 155.14 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.35 110.694 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.3 p -130.26 153.18 48.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.012 0.434 . . . . 0.35 111.094 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.72 123.71 24.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.888 -0.597 . . . . 0.35 110.734 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.485 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 1.8 m120 60.86 14.34 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.35 111.594 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -56.61 -43.72 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.107 -0.701 . . . . 0.35 109.107 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 18' ' ' MET . 3.6 t70 -56.26 -31.33 63.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.679 -0.691 . . . . 0.35 109.519 178.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HG2' ' CG1' ' A' ' 122' ' ' VAL . 0.1 OUTLIER -53.7 -43.66 69.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.35 110.473 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.663 ' CD1' HG12 ' A' ' 122' ' ' VAL . 1.9 m-85 -72.18 -23.55 61.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.693 -0.685 . . . . 0.35 110.627 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.603 ' CG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.38 -36.35 74.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.124 -0.489 . . . . 0.35 110.666 178.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.61 -60.94 1.84 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.698 0.629 . . . . 0.35 112.698 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HD3' HG23 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -52.85 -47.25 67.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.69 0.281 . . . . 0.35 111.265 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 3.5 tmm? -77.16 -28.41 54.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.388 -0.369 . . . . 0.35 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.14 72.03 0.99 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 0.35 112.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.453 HG22 ' HG3' ' A' ' 18' ' ' MET . 5.9 m -97.04 -178.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.35 110.871 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.87 120.48 40.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.35 110.419 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.42 HG22 HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -53.69 -31.81 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.35 111.138 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.82 -49.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.847 -0.615 . . . . 0.35 111.799 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -32.2 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.35 110.676 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.603 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.5 tmm_? -63.87 -21.61 66.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.35 111.199 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -39.83 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.35 111.177 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.407 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 2.1 mt -107.9 -13.82 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.35 111.054 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.28 -14.43 26.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.35 111.719 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 33' ' ' HIS . . . -55.62 -47.36 76.7 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.943 0.349 . . . . 0.35 111.943 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.7 p-80 160.11 -38.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.796 0.331 . . . . 0.35 111.414 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.59 -57.88 10.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.35 111.676 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -116.15 49.14 1.15 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.35 111.147 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -102.17 122.78 44.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.35 110.965 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 1.9 tppp? -114.32 116.76 29.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.89 -0.596 . . . . 0.35 110.093 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.713 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.7 tp -111.26 128.78 56.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.156 -0.929 . . . . 0.35 108.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 90.3 m -124.41 161.44 25.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.949 0.404 . . . . 0.35 111.645 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.471 HD13 ' CE2' ' A' ' 6' ' ' TRP . 43.0 mt -139.15 128.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.838 -0.619 . . . . 0.35 111.322 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 0.2 OUTLIER -122.15 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.35 109.964 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -138.13 129.69 27.92 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.771 0.656 . . . . 0.35 112.771 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -155.31 95.78 1.74 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.226 -0.897 . . . . 0.35 109.203 178.285 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.89 -139.72 48.3 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 119.994 -1.098 . . . . 0.35 111.36 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.13 1.21 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.238 0.519 . . . . 0.35 110.907 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HE3' ' C ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -109.08 142.21 40.12 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.113 0.482 . . . . 0.35 110.96 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.625 ' C ' ' HE3' ' A' ' 46' ' ' LYS . 21.0 m-30 -109.74 147.76 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.721 -0.672 . . . . 0.35 111.027 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 41' ' ' THR . 0.3 OUTLIER -107.28 120.19 41.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.917 0.389 . . . . 0.35 111.1 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.47 HG23 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -103.16 111.11 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.35 110.388 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.98 111.9 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.099 -0.5 . . . . 0.35 110.612 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 -98.33 119.08 36.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.35 110.817 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.89 142.87 32.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.35 110.999 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.514 ' O ' ' C ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -149.36 147.79 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.35 110.813 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 53' ' ' SER . . . 8.4 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.846 0.684 . . . . 0.35 112.846 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 56' ' ' ARG . 6.2 p90 -122.59 -27.32 4.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.615 -0.266 . . . . 0.35 111.283 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.403 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -64.11 -178.35 0.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.35 110.866 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.64 125.85 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.35 111.009 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.446 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 45.4 mt -125.09 147.79 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.35 110.733 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.402 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 30.5 tt0 -158.91 162.05 36.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.488 -0.324 . . . . 0.35 111.117 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 61' ' ' VAL . 23.1 t -160.65 159.66 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.154 -0.475 . . . . 0.35 111.309 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.48 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 2.5 t -126.66 147.84 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.35 109.673 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.533 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -156.82 124.94 5.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.666 0.746 . . . . 0.35 110.959 179.443 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 4.3 tt0 -107.9 142.27 38.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.605 -1.179 . . . . 0.35 110.96 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.35 104.3 0.25 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.35 110.664 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.67 16.92 29.94 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.35 112.01 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -131.73 131.36 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.245 0.545 . . . . 0.35 110.599 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 4.4 m -41.28 142.85 0.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.35 112.8 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -81.65 151.68 27.48 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.039 -0.726 . . . . 0.35 109.039 178.625 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -124.05 118.58 27.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.133 0.492 . . . . 0.35 112.013 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.436 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 1.5 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.609 -0.723 . . . . 0.35 109.95 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.708 0.289 . . . . 0.35 111.282 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -125.05 116.65 22.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.984 0.421 . . . . 0.35 110.533 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -124.57 121.55 35.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 0.35 111.02 -179.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.52 -123.05 1.64 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.172 -1.013 . . . . 0.35 112.79 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 19.1 p -157.72 150.4 22.85 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.89 0.376 . . . . 0.35 111.055 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.451 ' CD1' ' CA ' ' A' ' 91' ' ' GLY . 0.3 OUTLIER -127.51 127.07 43.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.35 110.347 179.383 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.25 149.36 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 0.35 110.974 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.35 129.84 54.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.35 110.934 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -119.61 99.32 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.35 110.675 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.62 -106.75 2.17 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.655 -0.784 . . . . 0.35 112.355 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -114.59 20.89 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.663 0.268 . . . . 0.35 111.317 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.1 144.53 47.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.404 . . . . 0.35 111.188 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.454 HD22 ' CE1' ' A' ' 2' ' ' PHE . 4.1 pp -114.2 140.38 48.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.35 110.752 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mp -128.33 96.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.35 111.576 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.451 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -84.73 167.11 42.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.027 -0.606 . . . . 0.35 112.023 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.576 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -153.86 155.02 34.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.418 . . . . 0.35 111.457 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 68' ' ' PHE . 71.8 m-85 -145.35 171.26 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.848 -0.614 . . . . 0.35 110.386 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -152.61 130.78 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.352 -0.84 . . . . 0.35 110.114 177.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.5 mtp180 -75.82 140.8 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.115 -0.493 . . . . 0.35 111.048 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -22.56 62.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.472 -0.785 . . . . 0.35 111.097 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.71 -41.24 55.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.35 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -171.71 35.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.35 110.666 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.474 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.93 62.75 4.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.35 112.754 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.487 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 9.9 m-20 -79.3 132.74 36.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.35 110.315 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 30.4 mt-10 -66.93 132.25 47.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.564 . . . . 0.35 111.589 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.432 ' HB2' ' HD2' ' A' ' 119' ' ' TYR . 1.8 tt -140.93 111.2 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.175 -0.92 . . . . 0.35 110.402 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.576 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -104.87 149.67 25.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.221 0.534 . . . . 0.35 111.496 -179.233 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.487 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 2.1 p -141.2 117.52 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.42 -0.809 . . . . 0.35 110.214 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.4 t -123.26 124.48 70.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.35 111.3 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.447 ' CZ ' ' CZ3' ' A' ' 6' ' ' TRP . 11.9 ttm180 -124.94 116.39 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 0.35 110.589 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.19 156.45 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.35 110.792 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.465 ' HA ' HD11 ' A' ' 113' ' ' LEU . 4.6 mm -90.94 95.28 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.35 110.739 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.572 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.4 tp -84.92 58.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.826 0.822 . . . . 0.35 110.588 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.02 -128.76 8.87 Favored Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 120.113 -1.041 . . . . 0.35 111.872 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.8 -5.17 41.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.193 . . . . 0.35 110.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 53.5 mt-10 -128.5 176.47 7.73 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.022 0.439 . . . . 0.35 111.097 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.541 ' HG ' ' CZ3' ' A' ' 6' ' ' TRP . 1.3 mm? -121.64 141.13 51.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.856 -0.611 . . . . 0.35 111.42 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.59 107.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.305 -0.628 . . . . 0.35 109.305 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.465 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.0 mt-30 -93.43 139.99 30.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.35 112.278 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.35 113.74 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.216 -0.902 . . . . 0.35 109.443 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.487 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 5.9 m-85 -117.03 159.46 22.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.35 110.649 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 103' ' ' ASN . 11.6 p -151.16 140.24 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.292 -0.413 . . . . 0.35 110.925 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 100' ' ' ASN . 8.1 t80 -154.85 104.55 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.066 0.46 . . . . 0.35 110.607 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.39 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.35 112.09 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.87 -13.98 0.84 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.861 0.704 . . . . 0.35 114.861 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.663 HG12 ' CD1' ' A' ' 17' ' ' PHE . 9.4 t -107.87 111.76 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.9 0.85 . . . . 0.35 112.299 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -114.52 119.58 37.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.825 -0.625 . . . . 0.35 109.799 178.557 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.507 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -122.31 137.67 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.35 111.928 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 165.59 11.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.733 -0.667 . . . . 0.35 109.445 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.457 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 10.7 ttp-105 -162.01 115.1 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.284 -0.566 . . . . 0.35 112.435 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.51 ' CG1' ' CG ' ' A' ' 10' ' ' ARG . 6.5 mm -77.98 138.21 20.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.198 -0.667 . . . . 0.35 109.198 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.845 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 36.2 t80 -119.52 156.32 30.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.0 0.741 . . . . 0.35 113.0 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -143.19 155.11 44.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 114.8 -1.091 . . . . 0.35 108.988 178.06 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.24 151.63 25.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.164 0.507 . . . . 0.35 111.768 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.97 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.785 0.326 . . . . 0.35 111.067 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.438 ' CZ ' HD13 ' A' ' 89' ' ' LEU . 9.1 m-85 -85.73 -47.24 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.35 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.79 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.391 -0.368 . . . . 0.35 110.634 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 -173.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.923 0.392 . . . . 0.35 111.195 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -88.94 117.97 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.37 -0.604 . . . . 0.35 109.37 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.839 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 14.0 m0 -118.24 121.25 40.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.508 0.67 . . . . 0.35 111.404 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.435 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 5.1 pttp -115.81 119.65 36.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.848 -1.069 . . . . 0.35 110.474 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' A' ' 36' ' ' LEU . 4.2 p -65.07 135.23 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.503 -0.771 . . . . 0.35 111.818 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -81.01 -62.46 1.66 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.459 . . . . 0.35 110.572 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.461 ' CG ' ' HB ' ' A' ' 127' ' ' ILE . 3.6 ptp180 -135.14 158.42 44.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.021 0.439 . . . . 0.35 111.118 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.417 ' HB2' ' HB2' ' A' ' 33' ' ' HIS . 15.7 m -119.41 147.93 43.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.35 111.037 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.21 128.14 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.35 110.835 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.3 m-20 59.35 14.59 3.81 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.144 0.497 . . . . 0.35 111.251 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.194 -0.669 . . . . 0.35 109.194 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 18' ' ' MET . 2.0 t70 -54.01 -29.82 44.96 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.902 -0.59 . . . . 0.35 110.09 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -55.1 -42.23 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.35 110.519 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.615 ' CD1' HG13 ' A' ' 122' ' ' VAL . 2.2 m-85 -72.54 -24.54 61.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.633 -0.712 . . . . 0.35 111.024 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.641 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.58 -33.1 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.901 -0.32 . . . . 0.35 110.513 178.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.12 -61.47 1.8 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.115 0.783 . . . . 0.35 113.115 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.483 ' CB ' ' CG2' ' A' ' 122' ' ' VAL . 0.7 OUTLIER -64.19 -47.35 80.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.35 111.35 -179.119 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 17' ' ' PHE . 1.7 ttp -72.83 -25.05 60.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.35 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.99 63.17 2.33 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.441 -0.885 . . . . 0.35 111.747 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.641 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.4 t -106.54 112.42 39.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.35 110.864 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -53.54 172.08 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.369 0.604 . . . . 0.35 111.66 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -88.62 -33.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.181 -0.918 . . . . 0.35 111.165 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.0 t -48.84 -52.15 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.988 -0.551 . . . . 0.35 111.535 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -30.92 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.35 110.953 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.576 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 1.9 tmm_? -73.78 -22.02 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.35 111.754 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ILE . 11.9 mttt -44.0 -36.28 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.35 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -104.39 -45.53 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.087 0.47 . . . . 0.35 110.486 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -62.77 -14.44 44.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.727 -0.669 . . . . 0.35 111.821 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -53.68 -45.62 70.38 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.599 0.592 . . . . 0.35 112.599 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 1.5 t-160 177.7 -73.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.464 0.542 . . . . 0.35 112.464 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.8 m-20 -48.93 -49.93 37.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.35 112.551 -178.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -101.87 61.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.903 0.382 . . . . 0.35 111.675 -178.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HB3' ' CG1' ' A' ' 8' ' ' VAL . 50.1 tp -122.72 115.88 22.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.923 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -116.05 116.84 28.61 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.803 -0.635 . . . . 0.35 109.853 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.783 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -108.75 112.73 25.17 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.109 -0.95 . . . . 0.35 109.451 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -103.64 152.99 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.051 0.453 . . . . 0.35 111.741 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 6' ' ' TRP . 61.5 mt -134.58 131.9 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.35 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.406 ' HB ' ' CB ' ' A' ' 48' ' ' THR . 3.1 m -124.14 157.05 35.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.35 110.773 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.8 114.68 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.35 111.341 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -147.88 89.79 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.35 110.415 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.81 -139.27 40.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.47 -0.872 . . . . 0.35 111.715 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -80.02 3.22 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.18 0.49 . . . . 0.35 110.875 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.85 136.78 52.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.229 0.538 . . . . 0.35 111.381 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' PHE . 6.2 m-30 -108.83 142.92 38.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.629 -0.714 . . . . 0.35 110.094 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.406 ' CB ' ' HB ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -101.42 120.25 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.814 0.34 . . . . 0.35 110.88 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.4 t -98.93 120.05 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.35 111.243 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -118.12 111.84 19.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.065 -0.516 . . . . 0.35 110.448 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -97.16 119.13 35.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.287 -0.415 . . . . 0.35 111.007 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.91 147.34 26.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.35 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.63 -171.08 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.35 110.697 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.97 -68.32 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.35 111.025 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.06 -26.82 5.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.35 111.376 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -79.12 164.69 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.831 0.348 . . . . 0.35 111.08 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -141.71 131.6 24.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.35 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.409 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 6.9 mt -136.3 157.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.35 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.41 160.58 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.35 110.821 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.543 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 2.8 m -162.09 107.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.002 0.371 . . . . 0.35 112.002 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -64.2 147.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 108.747 -0.834 . . . . 0.35 108.747 178.178 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CE2' ' CZ ' ' A' ' 68' ' ' PHE . 24.5 m-85 -143.81 165.41 27.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.673 0.749 . . . . 0.35 112.371 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 3.4 tt0 -149.76 134.48 17.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.572 -1.194 . . . . 0.35 110.211 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.3 mt -59.22 105.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.956 -0.565 . . . . 0.35 110.575 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.65 22.42 7.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.923 -0.656 . . . . 0.35 111.816 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 61.8 t -132.97 147.34 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.35 110.456 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.601 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -62.21 145.41 53.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.552 -0.749 . . . . 0.35 112.474 -178.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.654 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.97 162.51 21.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.114 -0.948 . . . . 0.35 109.182 178.716 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 78.1 m-20 -142.39 141.83 32.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.013 0.435 . . . . 0.35 111.727 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.715 -0.675 . . . . 0.35 110.295 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 108.54 -0.911 . . . . 0.35 108.54 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -97.14 128.52 44.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.423 -0.808 . . . . 0.35 112.714 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 5.9 ttm180 -132.99 118.45 18.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.3 -0.864 . . . . 0.35 110.515 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.5 -119.36 1.53 Allowed Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.385 -0.912 . . . . 0.35 112.578 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.2 p -158.14 176.11 12.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.946 0.403 . . . . 0.35 111.133 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -143.91 127.84 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.129 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.49 150.07 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.981 0.419 . . . . 0.35 111.432 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.35 129.31 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.35 110.631 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -129.82 94.45 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.856 -0.611 . . . . 0.35 110.72 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.52 -106.41 1.61 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.653 -0.784 . . . . 0.35 112.344 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -109.12 21.04 17.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.713 0.292 . . . . 0.35 111.172 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -137.48 138.59 39.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.863 0.364 . . . . 0.35 111.007 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.438 HD13 ' CZ ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -117.71 146.2 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.35 110.586 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 90' ' ' ILE . 1.6 mp -128.0 95.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.35 111.811 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.9 163.32 36.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.012 -0.613 . . . . 0.35 111.746 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.546 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -153.35 155.84 37.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.109 0.481 . . . . 0.35 111.844 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.654 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 53.0 m-85 -141.9 171.67 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.603 -0.726 . . . . 0.35 109.935 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -154.91 130.44 9.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.35 110.084 177.63 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 4.7 mtp85 -78.19 153.0 32.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.051 0.453 . . . . 0.35 110.899 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.69 -23.67 45.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.489 -0.778 . . . . 0.35 111.327 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -47.44 -35.8 9.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.275 -0.421 . . . . 0.35 111.068 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 178.15 40.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.35 110.472 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.408 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.24 63.02 4.28 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.111 -0.566 . . . . 0.35 112.525 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 40.0 m-20 -74.98 138.29 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.892 -0.41 . . . . 0.35 109.892 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 132.41 41.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.434 0.635 . . . . 0.35 111.787 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 118' ' ' VAL . 5.3 tt -138.52 111.65 7.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.899 -1.046 . . . . 0.35 110.165 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.546 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 12.4 m-20 -108.2 144.56 35.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.194 0.521 . . . . 0.35 111.886 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.506 ' CG2' ' CD2' ' A' ' 117' ' ' TYR . 88.9 m -146.92 128.04 14.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.663 -0.699 . . . . 0.35 110.934 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.05 122.45 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.35 111.326 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.536 ' HB3' ' HG3' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -115.51 116.33 27.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.35 110.882 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -124.53 131.52 53.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.35 110.391 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.416 HD12 ' CZ ' ' A' ' 2' ' ' PHE . 9.9 mm -61.3 85.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.35 111.246 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.1 tp -77.49 116.51 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.601 -0.518 . . . . 0.35 109.601 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.55 -126.21 27.78 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.791 -1.195 . . . . 0.35 111.538 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.33 13.79 28.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.903 0.383 . . . . 0.35 110.355 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 23.7 mt-10 -131.64 176.18 8.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.35 111.054 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.65 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 6.7 tp -118.9 128.92 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.35 110.372 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' A' ' 109' ' ' ILE . 7.3 p -103.93 106.76 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.598 -0.519 . . . . 0.35 109.598 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.536 ' HG3' ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -104.33 105.93 16.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.35 111.648 -178.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.1 m -102.86 110.97 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.35 110.186 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.513 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 3.2 m-85 -102.86 156.69 17.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.143 -0.688 . . . . 0.35 109.143 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 102' ' ' LEU . 7.9 p -150.5 140.28 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 121.043 -0.263 . . . . 0.35 110.941 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 102' ' ' LEU . 7.1 t80 -155.9 118.02 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.35 110.468 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 119' ' ' TYR . 5.5 mp0 26.51 88.65 0.01 OUTLIER 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 115.905 -0.588 . . . . 0.35 112.323 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.61 -3.44 6.3 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.874 -0.679 . . . . 0.35 114.086 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.615 HG13 ' CD1' ' A' ' 17' ' ' PHE . 6.0 t -108.4 145.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.194 0.497 . . . . 0.35 111.435 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.47 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 5.8 tt0 -156.21 120.79 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.35 110.527 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.449 ' HA ' ' CB ' ' A' ' 13' ' ' ASN . . . -119.81 136.32 54.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.157 0.503 . . . . 0.35 111.181 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 128.86 55.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.606 -0.724 . . . . 0.35 109.093 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.412 ' NH1' ' NE2' ' A' ' 115' ' ' GLN . 5.9 ttt-85 -121.6 114.74 21.61 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.497 0.555 . . . . 0.35 112.497 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' ' 127' ' ' ILE . 1.3 mp -81.09 139.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.26 -1.015 . . . . 0.35 108.26 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.839 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 40.5 t80 -124.1 153.92 40.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.505 0.928 . . . . 0.35 113.505 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.52 ' HG2' ' HB2' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -144.57 156.04 43.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.737 -1.119 . . . . 0.35 109.167 177.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -108.72 152.12 25.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.161 0.505 . . . . 0.35 112.01 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.202 -0.904 . . . . 0.35 110.892 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.83 0.348 . . . . 0.35 111.06 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.455 ' CE1' ' CD2' ' A' ' 89' ' ' LEU . 2.5 m-85 -74.47 -49.88 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.35 110.884 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 109.81 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.35 110.791 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.71 179.73 0.12 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.35 111.481 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -88.38 121.38 30.7 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.412 -0.959 . . . . 0.35 108.412 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.838 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 18.5 m0 -113.21 126.63 55.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.718 0.771 . . . . 0.35 112.445 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -121.3 114.45 21.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.654 -1.157 . . . . 0.35 109.977 178.429 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 33' ' ' HIS . 1.9 p -68.49 134.25 30.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.253 -0.885 . . . . 0.35 111.351 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -88.99 -69.35 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.35 111.036 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.446 ' CG ' ' HB ' ' A' ' 127' ' ' ILE . 9.8 ptt180 -123.05 168.86 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.35 110.607 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.48 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 10.4 p -142.53 163.1 33.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.35 111.313 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.03 127.57 28.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.35 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 8.6 m-20 59.2 16.24 4.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.12 0.486 . . . . 0.35 111.136 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 3.7 t80 -56.37 -40.79 75.12 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.159 -0.682 . . . . 0.35 109.159 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -61.38 -32.78 72.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.588 -0.733 . . . . 0.35 109.524 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HG2' ' CG1' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -48.32 -43.14 32.94 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.315 -0.857 . . . . 0.35 110.525 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.667 ' CD1' HG13 ' A' ' 122' ' ' VAL . 2.2 m-30 -70.41 -38.82 74.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.35 110.154 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.566 ' CG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -53.77 -32.71 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.589 -0.278 . . . . 0.35 110.957 178.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -87.65 -60.31 2.01 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.059 0.392 . . . . 0.35 112.059 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -63.38 -20.58 65.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.484 -0.325 . . . . 0.35 111.318 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.58 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.6 ttp -106.58 -9.64 16.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.274 . . . . 0.35 111.203 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.37 51.56 58.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.411 -0.9 . . . . 0.35 111.612 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.452 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.6 t -90.43 123.92 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.35 110.989 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -56.39 148.49 18.89 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.077 -0.51 . . . . 0.35 111.377 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.1 tp -77.59 -31.03 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.35 111.105 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.76 -47.4 62.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.35 111.336 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.61 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.35 110.554 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.2 tmm_? -72.7 -25.12 61.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.35 111.273 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.35 -42.51 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.35 111.301 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.15 -12.65 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.35 111.167 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.22 -15.98 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.025 0.38 . . . . 0.35 112.025 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.542 ' O ' ' HB3' ' A' ' 33' ' ' HIS . . . -56.97 -48.36 78.56 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.101 0.408 . . . . 0.35 112.101 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.542 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 13.8 p-80 168.67 -38.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.832 0.349 . . . . 0.35 111.662 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.456 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 16.1 m-20 -54.52 -58.23 8.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.483 . . . . 0.35 112.042 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -115.63 31.65 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 0.35 111.526 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -84.84 116.37 23.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.925 0.393 . . . . 0.35 110.885 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.1 tppp? -108.84 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.325 0.583 . . . . 0.35 110.187 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.701 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.6 tp -114.96 129.05 56.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.113 -0.949 . . . . 0.35 108.841 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.5 m -120.69 153.98 36.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.089 0.471 . . . . 0.35 111.942 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 HD12 ' CD2' ' A' ' 6' ' ' TRP . 65.4 mt -129.18 133.51 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.529 -0.76 . . . . 0.35 111.248 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' A' ' 48' ' ' THR . 3.3 m -128.49 159.32 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.35 110.562 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.1 134.59 54.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.03 0.443 . . . . 0.35 111.588 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -168.51 89.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.704 -0.68 . . . . 0.35 110.145 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.84 -136.25 51.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.559 -0.829 . . . . 0.35 111.657 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.91 14.26 7.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.276 0.538 . . . . 0.35 110.627 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -129.78 139.9 51.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.132 0.491 . . . . 0.35 111.28 -179.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PHE . 8.6 m-30 -110.83 173.23 6.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.634 . . . . 0.35 109.781 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' A' ' 41' ' ' THR . 2.5 m -126.47 120.0 28.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.571 0.225 . . . . 0.35 110.412 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG2' ' CD2' ' A' ' 62' ' ' PHE . 4.6 t -94.75 111.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.35 110.923 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -108.23 111.8 23.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.35 110.354 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -102.93 150.49 23.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.35 110.992 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -139.91 152.98 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.35 111.04 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.53 -171.06 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.35 110.594 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.96 -68.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.35 111.026 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -117.75 -26.7 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.35 111.265 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.1 170.23 16.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.35 111.113 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -141.7 146.02 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.35 110.89 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -150.48 154.99 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.35 110.916 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.95 171.42 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.35 110.944 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.434 HG12 ' CZ ' ' A' ' 68' ' ' PHE . 9.7 p -179.59 139.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.35 111.565 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -75.34 161.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.35 110.409 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -136.16 150.37 49.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.35 110.648 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 36.1 tt0 -148.94 119.51 7.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.35 110.755 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.45 114.14 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.35 110.811 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.62 24.6 17.7 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.597 -0.811 . . . . 0.35 111.888 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 63' ' ' GLU . 21.7 t -135.95 160.57 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 0.35 110.495 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -79.51 141.85 36.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.809 -0.632 . . . . 0.35 112.023 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.5 OUTLIER -81.74 154.16 26.15 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.102 -0.703 . . . . 0.35 109.102 178.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -125.59 132.12 52.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.188 0.518 . . . . 0.35 112.255 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.47 -0.786 . . . . 0.35 110.129 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.846 0.355 . . . . 0.35 110.768 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.549 ' HB3' ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -132.1 131.11 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.35 110.955 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -131.16 117.88 19.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.909 -0.587 . . . . 0.35 111.236 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.615 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -140.95 -117.29 1.36 Allowed Glycine 0 C--O 1.228 -0.254 0 C-N-CA 120.289 -0.958 . . . . 0.35 112.891 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 16.4 p -157.74 175.62 13.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.068 0.461 . . . . 0.35 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.565 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 10.1 t90 -156.73 126.82 6.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.816 -0.629 . . . . 0.35 109.584 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.57 149.32 35.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.35 111.326 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.37 132.18 47.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.35 110.669 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -123.49 97.45 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.029 -0.532 . . . . 0.35 110.922 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.16 -108.57 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.673 -0.775 . . . . 0.35 112.426 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.81 20.81 18.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.35 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -138.49 158.1 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.476 -0.329 . . . . 0.35 110.82 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -126.87 138.86 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.35 110.752 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 82' ' ' TRP . 0.7 OUTLIER -114.21 138.15 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.086 0.469 . . . . 0.35 111.559 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.465 ' O ' ' HD3' ' A' ' 92' ' ' LYS . . . -124.67 148.68 16.81 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.467 -0.788 . . . . 0.35 111.212 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.535 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -145.26 156.25 43.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.067 0.461 . . . . 0.35 111.442 -178.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 68' ' ' PHE . 48.2 m-85 -141.85 171.84 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.35 110.353 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -156.79 130.06 7.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.328 -0.851 . . . . 0.35 109.884 177.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.593 ' HG3' ' OH ' ' A' ' 119' ' ' TYR . 7.0 mmt85 -76.95 147.81 36.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.958 -0.565 . . . . 0.35 111.232 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.21 -22.43 59.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.35 111.566 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -50.0 -40.31 44.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.834 0.349 . . . . 0.35 111.185 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -178.12 40.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.35 110.594 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 51.6 64.99 3.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.089 -0.577 . . . . 0.35 112.75 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 32.5 m120 -78.35 140.8 38.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.821 -0.437 . . . . 0.35 109.821 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.95 127.14 31.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.035 0.754 . . . . 0.35 113.035 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' A' ' 119' ' ' TYR . 0.9 OUTLIER -138.38 111.39 7.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.363 -1.29 . . . . 0.35 109.685 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.535 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 2.6 m-80 -107.48 152.66 23.92 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.214 0.53 . . . . 0.35 112.18 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.513 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.79 117.93 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.42 -0.809 . . . . 0.35 110.857 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.24 129.69 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.35 110.928 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -132.25 116.5 17.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.382 -0.372 . . . . 0.35 111.183 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -111.26 154.71 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.35 110.457 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.475 HD12 ' CD2' ' A' ' 113' ' ' LEU . 7.4 mm -82.39 87.73 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.35 111.528 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.5 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.4 tp -79.67 117.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.594 -0.521 . . . . 0.35 109.594 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.31 -123.79 16.12 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.942 -1.123 . . . . 0.35 111.849 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -102.24 15.63 28.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.968 0.413 . . . . 0.35 110.372 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 61.0 mt-10 -132.93 177.97 7.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.922 -0.581 . . . . 0.35 110.374 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.564 ' HG ' ' CZ3' ' A' ' 6' ' ' TRP . 1.7 mm? -119.73 130.1 54.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.067 0.46 . . . . 0.35 111.627 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.9 p -108.87 107.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.35 109.612 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.2 mp0 -96.87 140.52 31.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.142 0.496 . . . . 0.35 112.052 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.22 114.36 13.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.402 -0.817 . . . . 0.35 109.665 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.513 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 2.2 m-85 -113.06 150.82 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.406 . . . . 0.35 110.369 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' A' ' 103' ' ' ASN . 6.3 p -146.61 142.09 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.909 0.385 . . . . 0.35 111.256 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.593 ' OH ' ' HG3' ' A' ' 95' ' ' ARG . 55.2 t80 -155.72 109.73 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.104 -0.498 . . . . 0.35 110.239 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CG ' ' CE2' ' A' ' 119' ' ' TYR . 1.8 pt-20 28.77 90.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.68 -0.691 . . . . 0.35 112.026 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 83.23 -52.25 4.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.634 -0.793 . . . . 0.35 113.996 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.667 HG13 ' CD1' ' A' ' 17' ' ' PHE . 42.4 t -77.83 133.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.375 0.607 . . . . 0.35 112.562 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 117' ' ' TYR . 2.1 tt0 -138.65 116.96 11.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.257 -0.883 . . . . 0.35 109.12 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.496 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -120.13 137.3 54.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.078 0.466 . . . . 0.35 111.822 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.49 164.71 11.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.623 -0.717 . . . . 0.35 109.173 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.483 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 0.2 OUTLIER -154.63 119.02 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.223 -0.591 . . . . 0.35 112.571 -178.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.446 ' HB ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 mp -83.73 132.25 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 108.569 -0.9 . . . . 0.35 108.569 177.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.838 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 48.6 t80 -114.3 154.0 28.76 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.055 0.761 . . . . 0.35 113.055 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 85.9 mttt -143.25 162.41 35.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.769 -1.105 . . . . 0.35 109.076 178.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -107.57 151.1 26.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.107 0.479 . . . . 0.35 111.7 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.23 -0.89 . . . . 0.35 110.966 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.872 0.367 . . . . 0.35 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.439 ' CE1' HD11 ' A' ' 89' ' ' LEU . 2.8 m-85 -89.51 -54.68 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.35 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -51.13 106.24 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.35 110.734 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.71 -177.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.35 111.389 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.9 m -88.85 123.31 33.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.226 -0.657 . . . . 0.35 109.226 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.851 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 10.9 m0 -117.12 126.92 53.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.35 111.804 -178.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.492 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 28.0 pttt -120.7 116.06 24.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.022 -0.99 . . . . 0.35 109.887 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.418 ' CG2' ' NE ' ' A' ' 126' ' ' ARG . 5.2 p -64.05 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.399 -0.819 . . . . 0.35 111.914 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.91 -52.43 4.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.089 -0.505 . . . . 0.35 110.384 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 4.9 ptt180 -145.67 171.71 14.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.35 110.798 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 p -144.11 166.22 25.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.35 111.248 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -145.09 126.29 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 0.35 110.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 5.4 m-20 61.61 15.81 7.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.35 111.166 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.511 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -56.95 -43.19 81.31 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.464 -0.569 . . . . 0.35 109.464 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.25 -32.77 66.91 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.393 -0.595 . . . . 0.35 109.393 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.491 ' CG ' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -51.44 -38.74 55.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.254 -0.885 . . . . 0.35 110.539 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.669 ' CD1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-85 -77.48 -23.97 50.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.35 111.206 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.53 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 18.3 mmt -75.58 -27.87 58.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.494 -0.321 . . . . 0.35 110.63 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.18 -60.4 1.99 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.601 0.593 . . . . 0.35 112.601 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG2' HG23 ' A' ' 122' ' ' VAL . 2.1 tptp -58.75 -47.25 85.32 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.672 0.249 . . . . 0.35 111.672 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.3 mtm -74.08 -32.44 63.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.672 0.272 . . . . 0.35 110.958 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.09 45.81 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.487 -0.863 . . . . 0.35 112.204 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 14.3 t -87.44 111.05 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.35 110.511 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.35 111.484 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' A' ' 28' ' ' ARG . 1.8 tt -42.98 -39.42 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.686 -0.688 . . . . 0.35 111.354 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -47.88 -53.12 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.422 . . . . 0.35 110.829 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -79.86 -30.27 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.35 110.197 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.478 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -62.81 -33.46 75.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.35 110.231 179.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -46.17 -43.82 15.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.437 -0.347 . . . . 0.35 111.578 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mt -92.23 -12.98 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.46 -0.336 . . . . 0.35 111.128 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.511 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -92.89 -22.33 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.35 111.849 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 33' ' ' HIS . . . -55.14 -48.27 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.095 0.405 . . . . 0.35 112.095 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.447 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.73 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.35 111.718 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -48.55 -58.24 4.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.35 111.678 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -106.63 46.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.35 110.998 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 tt -111.5 117.14 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.35 111.585 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -119.6 116.72 26.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.772 -0.649 . . . . 0.35 109.55 178.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.752 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.4 tp -105.98 134.53 48.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.922 -0.769 . . . . 0.35 108.922 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 50' ' ' LYS . 69.4 m -125.94 151.38 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.133 0.492 . . . . 0.35 112.045 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.424 HG12 ' CD1' ' A' ' 6' ' ' TRP . 1.8 mm -127.35 133.04 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.459 -0.791 . . . . 0.35 110.87 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 48' ' ' THR . 3.1 m -127.02 154.23 44.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.35 110.771 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -99.77 137.67 37.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.35 111.202 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.37 92.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.35 110.46 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.04 -127.12 24.12 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 120.641 -0.79 . . . . 0.35 112.046 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.27 21.1 7.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.251 0.525 . . . . 0.35 109.973 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -131.38 167.41 19.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.35 111.08 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -133.44 169.57 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.35 111.022 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -125.22 124.16 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.527 . . . . 0.35 110.524 179.528 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 t -94.7 118.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.35 111.025 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.411 ' CB ' ' HB ' ' A' ' 39' ' ' THR . 7.0 mttt -118.93 112.47 19.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.35 110.412 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -100.07 148.9 24.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.93 0.395 . . . . 0.35 111.035 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -138.01 141.69 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.35 110.82 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.7 m -149.4 -173.76 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.35 110.743 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.64 -13.09 18.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.35 111.501 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.57 -26.81 10.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.35 111.29 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -164.52 -171.01 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.35 111.108 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -141.93 133.48 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.35 111.03 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 1.5 mt -116.48 162.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.35 110.6 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 60' ' ' VAL . 21.1 tt0 -171.21 148.9 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.35 111.037 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.505 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 8.4 p -165.65 125.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.35 111.464 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 10.8 p -86.4 151.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.863 -0.421 . . . . 0.35 109.863 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 40.5 m-85 -149.69 167.23 27.02 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.09 0.472 . . . . 0.35 112.037 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 11.3 tt0 -133.83 139.11 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.333 -0.849 . . . . 0.35 111.004 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD2' HD12 ' A' ' 84' ' ' LEU . 15.2 mt -59.94 111.26 1.41 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.612 . . . . 0.35 110.507 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.87 23.45 15.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.432 -0.89 . . . . 0.35 111.892 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 87.5 t -131.44 142.06 44.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.25 0.548 . . . . 0.35 110.397 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -54.83 142.16 30.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.189 -0.914 . . . . 0.35 112.469 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -82.49 163.16 21.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.35 108.954 178.515 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -142.39 139.51 31.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.35 111.986 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.428 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.539 -0.755 . . . . 0.35 110.268 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.156 0.503 . . . . 0.35 111.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.524 ' HB3' ' CG ' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -160.86 112.73 1.89 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.625 -0.716 . . . . 0.35 109.494 179.294 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 7.9 ttp180 -124.77 121.01 33.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.35 111.246 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.603 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.42 -121.28 1.48 Allowed Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.35 112.049 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' LYS . 11.2 p -158.2 174.66 14.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.936 0.398 . . . . 0.35 110.805 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 6.1 t90 -147.01 127.43 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.35 110.411 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.5 m -138.63 122.72 17.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.239 -0.437 . . . . 0.35 110.812 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -100.68 131.42 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.35 110.759 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -123.12 94.45 4.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 0.35 110.777 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.47 -104.2 1.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.35 112.398 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.08 21.48 17.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.601 0.239 . . . . 0.35 111.24 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -133.89 137.07 44.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.35 111.183 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.439 HD11 ' CE1' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -116.85 125.59 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.35 110.558 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 mp -115.41 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 0.35 111.522 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.476 ' O ' ' HD3' ' A' ' 92' ' ' LYS . . . -98.4 162.7 20.74 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.778 -0.646 . . . . 0.35 111.926 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.493 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -152.29 157.47 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.012 0.434 . . . . 0.35 111.384 -179.213 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 39.5 m-85 -143.49 172.02 13.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.769 -0.65 . . . . 0.35 109.979 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -151.68 131.09 12.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.35 109.755 177.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.423 ' HG3' ' CE2' ' A' ' 119' ' ' TYR . 17.1 mtp180 -72.86 128.4 35.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.35 110.869 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -20.07 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.402 -0.817 . . . . 0.35 111.332 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -47.39 -27.09 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.992 0.425 . . . . 0.35 110.999 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 179.17 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.35 110.234 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.446 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 133.27 62.02 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.633 -0.712 . . . . 0.35 111.718 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.523 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.2 m-80 -78.25 143.18 37.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.35 110.319 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' A' ' 119' ' ' TYR . 0.3 OUTLIER -78.34 129.47 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.757 0.789 . . . . 0.35 112.544 -178.433 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.635 ' CD2' ' HB2' ' A' ' 119' ' ' TYR . 1.7 tm? -134.36 118.84 17.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.794 -1.548 . . . . 0.35 108.865 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.493 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 1.2 m120 -113.7 147.47 38.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.35 112.199 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.536 ' HB ' ' CE2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -147.02 117.34 7.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 0.35 110.68 178.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.36 120.72 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.35 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -115.94 127.16 54.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.35 111.223 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.2 146.18 52.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.35 110.667 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.405 ' CD1' ' CD1' ' A' ' 113' ' ' LEU . 7.2 mm -83.78 84.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.35 111.191 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.478 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 6.6 tp -79.69 119.28 28.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.486 -0.561 . . . . 0.35 109.486 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.81 -123.87 18.17 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.734 -1.222 . . . . 0.35 111.541 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -100.62 11.22 39.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.977 0.418 . . . . 0.35 110.275 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 26.9 mt-10 -128.16 177.16 7.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.35 110.735 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -119.64 129.9 54.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.35 111.14 179.396 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.41 HG12 ' HB ' ' A' ' 109' ' ' ILE . 6.7 p -103.36 108.03 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.612 . . . . 0.35 109.588 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.8 mt-30 -107.17 119.26 38.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.35 112.029 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.04 117.65 30.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.633 -0.712 . . . . 0.35 110.023 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.536 ' CE2' ' HB ' ' A' ' 104' ' ' THR . 1.8 m-85 -113.52 156.51 23.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.35 110.236 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.497 ' HB ' ' HG3' ' A' ' 123' ' ' GLU . 15.0 p -151.31 136.48 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.831 0.348 . . . . 0.35 111.012 178.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.635 ' HB2' ' CD2' ' A' ' 102' ' ' LEU . 5.6 t80 -152.43 120.04 6.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.35 110.774 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' TYR . 1.2 mm-40 24.54 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.595 -0.729 . . . . 0.35 112.083 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.44 -4.34 9.25 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.876 -0.678 . . . . 0.35 114.041 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.669 HG12 ' CD1' ' A' ' 17' ' ' PHE . 16.1 t -107.49 144.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.113 0.456 . . . . 0.35 111.559 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.497 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.1 tt0 -155.6 113.92 3.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.177 -0.465 . . . . 0.35 110.069 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.42 139.0 53.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 0.35 111.759 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 161.07 15.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.679 -0.86 . . . . 0.35 108.679 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.498 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 11.0 ttt-85 -158.01 114.57 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.898 -0.721 . . . . 0.35 112.81 -178.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.432 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 5.1 mm -81.33 149.38 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 108.474 -0.936 . . . . 0.35 108.474 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.851 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 43.9 t80 -131.07 154.44 48.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.46 0.911 . . . . 0.35 113.46 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 3.8 pttp -144.0 157.59 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.919 -1.037 . . . . 0.35 109.184 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -107.84 151.16 26.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.215 0.531 . . . . 0.35 111.834 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.968 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.753 0.311 . . . . 0.35 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.46 ' CZ ' HD21 ' A' ' 89' ' ' LEU . 5.0 m-85 -88.23 -46.84 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.35 111.003 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -58.13 111.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.35 110.533 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.83 -172.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.341 -0.391 . . . . 0.35 110.811 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.3 m -89.28 120.14 30.38 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.672 -0.492 . . . . 0.35 109.672 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.839 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.4 m0 -116.92 125.07 50.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.35 111.26 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 129' ' ' LYS . 4.1 ptmt -120.99 115.44 23.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.22 -0.9 . . . . 0.35 110.839 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 p -60.95 129.71 24.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.22 -0.9 . . . . 0.35 111.3 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.405 ' HB2' ' CB ' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -84.92 -63.74 1.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.317 -0.401 . . . . 0.35 110.828 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.438 ' CG ' ' HB ' ' A' ' 127' ' ' ILE . 6.6 ptt180 -128.1 169.64 13.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.35 110.927 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.6 p -144.07 166.0 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.35 111.136 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.57 131.38 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.35 110.652 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 62.12 13.03 5.44 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.257 0.551 . . . . 0.35 111.253 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -55.7 -46.61 77.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.234 -0.654 . . . . 0.35 109.234 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 18' ' ' MET . 8.4 t0 -54.67 -31.71 58.17 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.73 -0.668 . . . . 0.35 109.849 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CG ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -52.46 -40.75 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.586 -0.733 . . . . 0.35 110.223 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.653 ' CD1' HG12 ' A' ' 122' ' ' VAL . 2.0 m-85 -74.12 -24.55 59.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.508 -0.769 . . . . 0.35 110.709 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.658 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -71.05 -31.74 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.35 111.378 179.283 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.8 -60.55 1.95 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 113.234 0.828 . . . . 0.35 113.234 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HG2' ' CD2' ' A' ' 119' ' ' TYR . 2.5 tptp -56.88 -47.5 80.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.35 112.107 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 4.1 mtp -81.92 -28.76 32.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.35 111.189 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.83 56.48 1.96 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.51 -0.852 . . . . 0.35 112.339 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.658 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 4.0 t -97.67 99.37 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.984 -0.376 . . . . 0.35 109.984 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -50.19 178.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.492 0.663 . . . . 0.35 112.219 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -86.52 -32.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.991 -1.004 . . . . 0.35 111.242 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.421 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 21.7 t -44.26 -56.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.861 -0.609 . . . . 0.35 111.865 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -86.53 -29.09 22.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.35 111.051 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.3 tmm_? -73.49 -20.14 60.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 0.35 111.85 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ILE . 3.3 mttt -44.03 -48.65 8.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.35 111.473 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.409 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -101.41 -31.87 10.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.35 110.659 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.46 -13.79 62.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.35 111.514 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 33' ' ' HIS . . . -55.07 -47.0 75.48 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.977 0.362 . . . . 0.35 111.977 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.37 -50.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.825 0.345 . . . . 0.35 111.464 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -55.13 29.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.499 . . . . 0.35 111.793 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -108.42 44.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.35 111.279 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -103.82 118.64 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.35 110.913 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -116.52 116.64 28.02 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.323 0.583 . . . . 0.35 110.068 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.812 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.2 tp -106.77 112.02 24.8 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.187 -0.915 . . . . 0.35 109.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.4 m -99.43 142.01 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.012 0.434 . . . . 0.35 111.817 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.428 HG13 ' CE2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.38 133.99 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.707 -0.679 . . . . 0.35 110.471 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.7 m -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.35 111.268 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -88.35 121.27 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.35 110.644 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HB3' ' HG2' ' A' ' 46' ' ' LYS . 5.2 tt0 -140.23 41.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.298 0.57 . . . . 0.35 111.107 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.08 -125.23 6.83 Favored Glycine 0 C--N 1.314 -0.666 0 CA-C-N 115.389 -0.823 . . . . 0.35 112.399 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -78.88 1.27 24.08 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 117.212 0.506 . . . . 0.35 110.812 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -130.28 155.64 45.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.405 0.621 . . . . 0.35 111.625 -179.777 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.552 ' HB2' ' CE1' ' A' ' 62' ' ' PHE . 43.5 m-85 -111.4 133.8 53.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.045 -0.979 . . . . 0.35 111.673 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.94 119.88 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.35 110.413 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.519 HG23 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -108.63 124.97 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.442 . . . . 0.35 111.046 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -122.55 116.07 23.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.35 110.604 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.428 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.1 tt0 -86.23 117.55 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.35 110.823 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.73 144.79 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.35 111.034 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.409 ' CB ' ' CD1' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -149.86 -171.07 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.93 -0.577 . . . . 0.35 110.862 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.93 -59.51 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.35 110.977 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -115.5 -26.83 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.35 111.253 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.58 149.81 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 0.35 110.973 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -141.89 136.75 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.35 111.071 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.428 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 2.4 mp -139.7 160.82 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.35 110.685 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -154.21 162.17 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.35 111.197 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 49' ' ' VAL . 12.4 p -178.36 165.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.897 -0.592 . . . . 0.35 110.791 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 12.3 p -136.97 146.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.35 110.46 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -136.92 130.03 31.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.466 0.651 . . . . 0.35 111.214 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -106.24 138.73 41.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.98 -1.009 . . . . 0.35 111.065 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.47 102.0 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.919 -0.582 . . . . 0.35 110.326 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.19 15.29 18.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.915 -0.66 . . . . 0.35 112.121 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 39.9 t -132.78 144.41 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.157 0.504 . . . . 0.35 110.633 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.1 m -57.51 154.62 10.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.422 -0.808 . . . . 0.35 112.021 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.614 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.081 -0.963 . . . . 0.35 109.276 179.165 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -130.28 118.32 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.967 0.413 . . . . 0.35 111.912 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.35 110.302 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.695 0.283 . . . . 0.35 110.37 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -120.26 137.07 54.44 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.18 0.514 . . . . 0.35 111.446 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' LYS . 25.5 ttp85 -110.92 123.86 50.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.35 110.124 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.599 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -147.61 -157.03 7.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.271 -1.442 . . . . 0.35 114.55 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.467 ' O ' ' HA2' ' A' ' 91' ' ' GLY . 1.9 p -151.62 138.77 19.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.317 -0.441 . . . . 0.35 109.873 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.429 ' CZ3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -111.05 142.23 43.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.462 -0.335 . . . . 0.35 110.406 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.77 144.59 22.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 0.35 110.622 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.464 ' HG ' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -110.59 127.58 55.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.084 0.469 . . . . 0.35 110.681 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.55 93.97 4.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.704 . . . . 0.35 110.235 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.13 -101.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.49 -0.862 . . . . 0.35 111.962 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -115.06 21.47 14.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.607 0.241 . . . . 0.35 111.094 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -125.08 147.25 49.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.019 0.438 . . . . 0.35 111.592 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.464 HD22 ' HG ' ' A' ' 84' ' ' LEU . 2.6 mm? -107.52 127.74 53.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.703 -0.68 . . . . 0.35 110.424 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.26 137.22 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.463 0.649 . . . . 0.35 112.466 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 81' ' ' THR . . . -142.4 153.12 24.26 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.383 -1.087 . . . . 0.35 110.383 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.588 ' O ' ' CA ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -146.75 117.31 7.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.618 0.709 . . . . 0.35 111.081 -179.298 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.614 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 96.7 m-85 -101.54 173.02 6.62 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.61 0.719 . . . . 0.35 112.283 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.731 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.4 mttt -158.05 131.59 7.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.771 -1.104 . . . . 0.35 110.355 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.418 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 2.1 mtp180 -73.63 141.74 46.52 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.183 0.516 . . . . 0.35 111.006 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -17.05 61.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.141 -0.936 . . . . 0.35 110.547 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -47.86 -57.92 5.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.141 -0.481 . . . . 0.35 111.219 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -155.55 24.54 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.506 -0.315 . . . . 0.35 111.434 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.541 ' C ' ' HE2' ' A' ' 94' ' ' LYS . . . 71.53 82.82 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.632 -0.794 . . . . 0.35 112.131 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.731 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 32.1 m120 -112.91 109.77 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.862 0.363 . . . . 0.35 110.267 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.573 ' HA ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -60.0 142.95 53.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.771 0.796 . . . . 0.35 111.918 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.577 ' CD1' ' HB2' ' A' ' 119' ' ' TYR . 6.1 tt -143.77 126.4 16.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.265 -1.334 . . . . 0.35 109.693 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.469 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 1.8 m-80 -109.73 150.97 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.35 111.378 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 91' ' ' GLY . 1.6 p -146.27 117.33 7.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.35 111.052 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 t -129.39 114.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.35 110.926 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.436 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 14.2 ptt180 -130.47 116.52 18.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.321 -0.4 . . . . 0.35 110.859 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -111.23 158.56 18.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.35 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.416 HD13 ' CZ ' ' A' ' 2' ' ' PHE . 8.3 mm -76.01 82.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.35 110.982 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.444 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 7.1 tp -76.24 121.05 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.749 -0.463 . . . . 0.35 109.749 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.8 -124.89 28.56 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.8 -1.191 . . . . 0.35 111.704 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.37 16.81 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.804 0.335 . . . . 0.35 110.497 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 14.3 mt-10 -138.42 178.37 7.19 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.245 -0.434 . . . . 0.35 110.922 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.608 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 2.0 tp -113.84 129.77 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.027 0.441 . . . . 0.35 110.949 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.9 p -108.43 108.06 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.35 109.68 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -100.93 140.85 34.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.26 0.553 . . . . 0.35 112.291 -178.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.7 111.45 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.297 -0.865 . . . . 0.35 109.504 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.1 m-85 -111.41 157.56 20.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.37 . . . . 0.35 110.303 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 103' ' ' ASN . 9.5 p -149.63 135.36 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-O 120.669 0.271 . . . . 0.35 111.088 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.577 ' HB2' ' CD1' ' A' ' 102' ' ' LEU . 39.9 t80 -145.86 116.69 7.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.35 110.58 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.4 OUTLIER 22.25 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.118 -0.492 . . . . 0.35 112.199 -179.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.19 -6.51 14.26 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.736 -0.745 . . . . 0.35 113.88 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 17' ' ' PHE . 19.1 t -107.39 145.7 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.947 0.373 . . . . 0.35 111.219 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.468 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 5.1 tt0 -156.12 115.8 3.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.311 -0.404 . . . . 0.35 110.268 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.69 135.63 55.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.146 0.498 . . . . 0.35 111.653 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 135.88 49.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.899 -0.778 . . . . 0.35 108.899 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.476 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 3.1 ttp180 -131.27 115.53 16.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.566 0.58 . . . . 0.35 112.566 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.438 ' HB ' ' CG ' ' A' ' 10' ' ' ARG . 2.8 mp -82.59 134.66 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 108.912 -0.773 . . . . 0.35 108.912 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.839 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 35.7 t80 -107.65 148.83 28.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.952 0.723 . . . . 0.35 112.952 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 7' ' ' LYS . 13.3 tmtt? -142.15 158.73 43.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 114.858 -1.065 . . . . 0.35 108.863 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -107.97 148.91 29.05 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.327 0.584 . . . . 0.35 112.078 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.156 -0.929 . . . . 0.35 111.011 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.781 0.324 . . . . 0.35 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.504 ' CE1' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -75.47 -51.93 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.35 110.778 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -55.41 104.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.35 111.176 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.71 -175.95 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.35 110.967 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.403 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 91.3 m -88.66 115.91 26.53 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.372 -0.603 . . . . 0.35 109.372 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.837 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 16.0 m0 -115.63 126.48 54.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.507 0.67 . . . . 0.35 111.74 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.499 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.1 ttpt -118.54 121.73 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.949 -1.023 . . . . 0.35 110.467 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.411 ' CG2' ' NE ' ' A' ' 126' ' ' ARG . 5.8 p -65.33 135.23 28.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 0.35 111.143 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 16.0 t70 -93.61 -71.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.35 111.15 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.521 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 3.9 ptp180 -118.86 165.8 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.35 110.63 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.5 p -140.91 156.82 46.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.35 111.294 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -136.24 123.99 22.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 0.35 110.413 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 62.57 14.12 6.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.187 0.518 . . . . 0.35 111.229 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -56.61 -49.82 73.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.077 -0.712 . . . . 0.35 109.077 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -49.98 -33.33 17.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.817 -0.629 . . . . 0.35 109.788 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -52.33 -41.4 62.96 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.254 -0.885 . . . . 0.35 110.532 179.335 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.629 ' CD1' HG11 ' A' ' 122' ' ' VAL . 2.3 m-85 -72.23 -25.19 61.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.398 -0.819 . . . . 0.35 111.179 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.509 ' HG2' ' CG ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -69.94 -30.08 67.37 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.512 -0.313 . . . . 0.35 111.03 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.28 -60.66 1.94 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.006 0.743 . . . . 0.35 113.006 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG2' ' CD2' ' A' ' 119' ' ' TYR . 2.1 tptp -56.6 -47.41 79.65 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.112 -0.235 . . . . 0.35 111.327 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.451 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 5.9 mtm -65.25 -40.07 93.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.35 110.201 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.24 55.02 2.02 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.707 -0.759 . . . . 0.35 112.448 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.453 HG23 ' HG3' ' A' ' 18' ' ' MET . 16.4 m -96.37 156.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.35 110.714 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -81.17 -173.36 4.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.379 -0.373 . . . . 0.35 110.814 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.91 -38.9 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.35 111.305 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.32 -45.91 33.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.35 111.504 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -33.62 29.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.992 0.425 . . . . 0.35 110.3 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.509 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -65.12 -33.33 75.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.764 -0.653 . . . . 0.35 110.818 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -54.57 -42.46 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.35 111.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.67 -14.75 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.35 111.142 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -93.74 -16.14 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.031 0.382 . . . . 0.35 112.031 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' HIS . . . -59.21 -49.35 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.35 112.199 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 13.6 p80 160.0 -44.61 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.963 0.411 . . . . 0.35 111.367 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.21 -57.76 8.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.35 111.866 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -111.32 66.73 0.63 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.793 0.33 . . . . 0.35 111.318 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.403 ' HB3' ' CG1' ' A' ' 8' ' ' VAL . 37.3 tp -128.57 126.58 40.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.35 111.115 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -118.21 117.34 28.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.451 0.643 . . . . 0.35 109.887 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.828 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -108.21 113.0 25.78 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.024 -0.989 . . . . 0.35 109.312 -179.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.4 m -105.8 153.86 21.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.499 . . . . 0.35 112.043 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.43 HD11 ' CE2' ' A' ' 6' ' ' TRP . 50.5 mt -131.89 137.41 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.485 -0.78 . . . . 0.35 110.59 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' CB ' ' A' ' 48' ' ' THR . 1.4 m -131.14 162.47 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.35 110.945 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -110.49 128.79 55.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.35 111.237 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -159.12 89.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.585 . . . . 0.35 110.402 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.84 -134.23 43.74 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.573 -0.822 . . . . 0.35 111.832 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -82.83 7.16 15.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.267 0.534 . . . . 0.35 110.771 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -123.29 152.12 41.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.503 0.668 . . . . 0.35 111.904 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 40.9 m-85 -112.1 166.97 10.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.057 -0.974 . . . . 0.35 110.441 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.5 119.34 28.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 0.35 110.046 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.9 119.74 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.953 0.406 . . . . 0.35 111.664 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -117.3 111.48 19.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.35 110.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.1 mt-10 -104.32 127.28 51.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 0.35 111.281 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.3 150.91 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.35 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 m -149.51 -170.96 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.35 110.803 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.82 -74.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.35 111.137 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -122.48 15.06 10.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.35 111.405 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -114.4 162.89 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.35 110.958 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -134.27 134.05 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.35 110.911 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.425 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 3.9 mt -148.69 151.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.35 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.55 154.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.35 110.778 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.558 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 3.6 m -161.52 106.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.139 0.422 . . . . 0.35 112.139 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.419 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 6.1 p -63.68 152.06 8.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.207 -0.664 . . . . 0.35 109.207 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 33.2 m-85 -147.29 165.35 30.37 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 112.575 0.583 . . . . 0.35 112.575 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 6.3 tt0 -139.05 150.87 46.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.117 -0.947 . . . . 0.35 110.717 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD23 ' HB2' ' A' ' 84' ' ' LEU . 28.6 mt -69.84 104.29 2.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.35 110.689 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.67 25.3 7.73 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.519 -0.848 . . . . 0.35 111.939 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 64.2 t -131.73 145.81 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.216 0.531 . . . . 0.35 110.606 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.68 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.6 m -56.54 162.22 2.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.285 -0.87 . . . . 0.35 112.394 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -101.86 159.99 14.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.089 -0.959 . . . . 0.35 109.454 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -144.21 146.31 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.98 0.419 . . . . 0.35 111.726 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.896 -0.593 . . . . 0.35 110.723 179.263 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.295 0.569 . . . . 0.35 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.499 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -134.68 126.9 30.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.241 -0.89 . . . . 0.35 109.163 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 16.2 mtt180 -134.55 126.74 29.92 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.348 0.499 . . . . 0.35 112.348 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.68 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -143.75 -114.31 0.97 Allowed Glycine 0 C--O 1.226 -0.402 0 C-N-CA 120.952 -0.642 . . . . 0.35 111.86 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.431 HG23 ' HA ' ' A' ' 67' ' ' THR . 15.3 p -158.74 174.92 14.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.438 0.619 . . . . 0.35 111.461 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.597 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -147.91 135.67 20.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.534 -0.757 . . . . 0.35 109.51 179.403 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -152.81 149.34 28.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 0.35 111.63 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.462 HD11 ' CZ ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -116.57 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.35 110.388 179.562 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.7 94.51 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.35 111.195 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 63.93 -107.49 1.8 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.766 . . . . 0.35 112.626 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -107.72 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.632 0.253 . . . . 0.35 111.457 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 132.74 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.35 110.718 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -114.29 142.93 45.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.35 110.672 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.04 137.02 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.336 0.589 . . . . 0.35 112.093 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 82' ' ' TRP . . . -135.87 157.59 23.43 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.12 -0.946 . . . . 0.35 111.11 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.462 ' O ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -155.57 159.31 39.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.256 0.528 . . . . 0.35 111.846 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.59 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 92.5 m-85 -134.39 173.59 11.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.35 109.899 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.79 137.38 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.851 -0.613 . . . . 0.35 110.539 178.32 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.433 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -81.58 150.1 28.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.35 111.222 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -24.63 48.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.35 111.423 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -49.44 -37.03 24.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.385 -0.37 . . . . 0.35 111.14 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -178.48 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.35 110.605 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 50.61 63.66 4.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.085 -0.579 . . . . 0.35 112.742 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.559 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.5 m-80 -76.42 138.74 40.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.536 -0.542 . . . . 0.35 109.536 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.98 135.3 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.515 0.674 . . . . 0.35 112.551 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.476 ' HG ' ' HB2' ' A' ' 119' ' ' TYR . 1.6 tt -143.88 110.61 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.809 -1.087 . . . . 0.35 109.741 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.448 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 2.0 m120 -105.91 153.25 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.161 0.505 . . . . 0.35 111.817 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.488 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.65 116.72 7.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.404 -0.816 . . . . 0.35 110.554 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.12 120.15 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.35 110.803 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -115.75 116.21 27.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.35 110.974 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -114.64 135.67 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.35 110.409 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.409 HD13 ' CD2' ' A' ' 113' ' ' LEU . 6.6 mm -82.13 98.03 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.242 -0.435 . . . . 0.35 110.576 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.606 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 4.9 tp -90.84 55.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.925 0.869 . . . . 0.35 110.218 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.55 -127.13 8.21 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 120.145 -1.026 . . . . 0.35 111.153 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -79.17 -9.64 59.61 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.595 0.236 . . . . 0.35 110.563 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 112' ' ' GLU . 1.6 mp0 -111.69 165.5 11.98 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.794 0.331 . . . . 0.35 110.849 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.508 ' CB ' ' HB3' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -121.43 128.93 52.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.35 111.108 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' A' ' 109' ' ' ILE . 2.1 p -106.27 107.66 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 0.35 109.065 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.493 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 0.9 OUTLIER -105.69 140.66 38.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.35 112.432 -178.296 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.81 112.45 11.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.12 -0.945 . . . . 0.35 109.22 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.488 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 1.4 m-85 -110.03 156.34 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.35 110.333 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.457 ' HB ' ' HG3' ' A' ' 123' ' ' GLU . 9.1 p -150.54 134.74 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.719 0.295 . . . . 0.35 111.174 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.496 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 33.2 t80 -147.75 115.54 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.35 110.564 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.6 OUTLIER 24.95 89.29 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.652 -0.704 . . . . 0.35 112.253 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.94 -8.02 13.25 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.746 -0.74 . . . . 0.35 113.89 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.629 HG11 ' CD1' ' A' ' 17' ' ' PHE . 15.2 t -107.3 143.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.972 0.386 . . . . 0.35 111.51 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 117' ' ' TYR . 3.1 tt0 -154.6 115.7 4.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.244 -0.434 . . . . 0.35 110.164 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -121.26 142.95 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.35 111.802 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.06 164.54 12.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.768 -0.827 . . . . 0.35 108.768 178.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.493 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 1.6 ttt180 -161.5 122.78 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.056 0.761 . . . . 0.35 113.056 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.521 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 3.3 mm -91.79 140.98 15.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.69 -0.856 . . . . 0.35 108.69 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.837 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 32.7 t80 -118.93 153.66 34.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.366 0.876 . . . . 0.35 113.366 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.457 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -143.84 159.28 42.81 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 114.659 -1.155 . . . . 0.35 108.849 177.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -108.45 151.85 25.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 0.35 111.895 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.239 -0.886 . . . . 0.35 110.991 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.895 0.379 . . . . 0.35 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.421 ' CE1' HD21 ' A' ' 89' ' ' LEU . 3.3 m-85 -89.43 -45.74 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.952 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.45 111.07 0.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.35 110.732 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.66 179.57 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.949 0.404 . . . . 0.35 111.02 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -88.67 124.0 33.66 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.9 -0.778 . . . . 0.35 108.9 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.867 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.3 m0 -115.51 127.05 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.35 111.952 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.513 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -118.9 117.04 27.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.911 -1.041 . . . . 0.35 109.628 177.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.4 HG22 ' NE ' ' A' ' 126' ' ' ARG . 3.6 p -68.57 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.348 -0.842 . . . . 0.35 111.606 -178.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.48 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 8.9 t70 -98.23 -75.12 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.35 111.098 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' CG ' HG12 ' A' ' 127' ' ' ILE . 0.6 OUTLIER -117.11 164.18 15.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.35 111.002 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.495 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 53.2 p -141.29 164.17 30.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.546 . . . . 0.35 110.947 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 127.38 13.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.536 . . . . 0.35 110.431 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.7 m-20 62.12 15.2 7.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.105 0.479 . . . . 0.35 111.061 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -55.35 -41.01 71.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.93 -0.766 . . . . 0.35 108.93 179.132 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -58.51 -35.3 72.05 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.26 -0.645 . . . . 0.35 109.26 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.552 ' CG ' HG11 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -47.49 -40.32 18.19 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.187 -0.915 . . . . 0.35 110.55 179.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.689 ' CD1' HG13 ' A' ' 122' ' ' VAL . 2.4 m-85 -76.77 -25.61 53.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.705 -0.68 . . . . 0.35 111.02 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.501 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 13.7 mmt -74.28 -29.75 61.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.35 111.535 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -87.2 -60.89 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.99 0.737 . . . . 0.35 112.99 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.518 ' HB2' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -53.42 -47.32 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.806 0.299 . . . . 0.35 111.806 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.47 -27.27 41.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 0.35 111.198 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.4 44.43 5.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.531 -0.842 . . . . 0.35 111.97 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.501 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 8.7 t -80.2 126.14 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.764 0.316 . . . . 0.35 110.503 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.6 117.41 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.35 111.45 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.473 HG23 HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -49.04 -36.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.473 -0.785 . . . . 0.35 111.187 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.4 -59.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.449 . . . . 0.35 110.751 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -29.71 61.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.35 110.063 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CD ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -60.67 -31.34 70.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 0.35 110.161 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HE2' ' CD1' ' A' ' 25' ' ' ILE . 2.4 mttm -54.32 -49.53 69.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.35 111.478 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.403 ' CD1' ' CB ' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -77.41 -20.83 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.381 . . . . 0.35 111.178 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.473 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -93.03 -13.73 28.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.35 111.664 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' ARG . . . -54.75 -48.22 72.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.254 0.464 . . . . 0.35 112.254 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.495 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 4.1 p-80 162.85 -40.38 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.045 0.387 . . . . 0.35 112.045 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.77 -53.1 56.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.242 0.46 . . . . 0.35 112.242 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -109.6 42.21 1.53 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.328 . . . . 0.35 111.243 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.82 118.83 36.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 0.35 111.234 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -121.72 115.96 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.689 . . . . 0.35 109.764 179.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.753 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.1 tp -105.37 125.76 51.34 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.818 -0.808 . . . . 0.35 108.818 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 1.8 m -113.25 152.37 29.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.35 111.803 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.417 HG13 ' CE2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -137.14 142.24 37.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.709 -0.678 . . . . 0.35 111.103 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -149.45 152.73 36.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.229 179.056 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.79 129.87 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.35 111.961 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -156.97 88.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.35 110.083 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.37 -143.34 38.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.591 -0.814 . . . . 0.35 111.621 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.09 0.43 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.176 0.488 . . . . 0.35 110.604 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -109.73 147.97 32.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.404 0.621 . . . . 0.35 111.559 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CE2' HD21 ' A' ' 64' ' ' LEU . 27.0 m-85 -111.33 142.83 43.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.092 -0.958 . . . . 0.35 110.011 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -106.11 119.54 39.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.92 0.39 . . . . 0.35 110.007 179.253 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -114.14 126.59 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.35 111.101 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 112.47 19.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.867 -0.606 . . . . 0.35 110.902 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . 56.7 tt0 -90.96 117.42 29.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.35 110.443 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -101.62 140.13 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.35 111.241 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.8 p -149.21 161.44 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.35 110.74 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.91 15.73 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.35 111.561 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CB ' ' CD1' ' A' ' 30' ' ' LEU . 2.4 t80 -119.02 -26.96 5.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.677 0.275 . . . . 0.35 111.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -168.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.35 110.936 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.24 146.34 27.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.35 110.942 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HB ' ' HB3' ' A' ' 51' ' ' GLU . 18.2 mt -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.35 111.061 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 177.65 175.46 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.35 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.413 HG12 ' CZ ' ' A' ' 68' ' ' PHE . 14.1 p -178.85 161.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.35 111.388 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.404 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 2.6 t -92.41 146.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.35 111.144 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CZ ' ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -124.54 145.77 49.38 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.35 109.814 179.332 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.62 131.63 14.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.072 0.463 . . . . 0.35 111.173 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.452 HD21 ' CE2' ' A' ' 47' ' ' PHE . 8.5 mt -72.12 105.47 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.35 110.754 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.85 14.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.35 112.315 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.42 158.55 42.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.034 0.445 . . . . 0.35 110.369 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.7 m -84.35 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.821 -0.627 . . . . 0.35 111.631 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.28 151.71 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.55 -0.75 . . . . 0.35 109.427 179.202 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -122.3 118.69 29.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.005 0.431 . . . . 0.35 111.946 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.35 110.33 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.855 0.36 . . . . 0.35 110.751 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.502 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -115.17 139.35 49.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.453 . . . . 0.35 111.015 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -124.38 122.12 36.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.35 109.861 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.616 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.08 -153.37 5.94 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 119.63 -1.271 . . . . 0.35 114.185 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -155.47 136.08 13.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.427 0.291 . . . . 0.35 110.571 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.503 ' CE2' ' CZ ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -111.61 127.6 55.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.44 . . . . 0.35 110.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.94 149.2 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.44 -0.345 . . . . 0.35 110.675 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -118.06 128.52 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.146 0.498 . . . . 0.35 111.384 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.62 103.72 8.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 0.35 110.386 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.93 -108.03 2.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.588 -0.815 . . . . 0.35 112.322 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -115.02 20.83 14.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.553 0.216 . . . . 0.35 111.344 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -139.81 158.48 44.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.868 0.366 . . . . 0.35 111.201 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 84' ' ' LEU . 2.0 pp -127.83 144.85 51.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.35 110.741 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mp -128.07 124.21 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.35 112.3 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.444 ' O ' ' OG1' ' A' ' 104' ' ' THR . . . -116.09 150.34 18.64 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.411 -0.813 . . . . 0.35 111.156 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.554 ' O ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -152.71 124.66 7.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.363 . . . . 0.35 110.471 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 68' ' ' PHE . 87.2 m-85 -100.22 172.26 7.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.454 0.645 . . . . 0.35 111.926 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -149.1 123.97 9.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.35 109.786 179.168 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.491 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 mtp85 -74.09 140.79 45.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.199 0.524 . . . . 0.35 111.387 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.37 -21.4 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.359 -0.837 . . . . 0.35 110.976 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -51.26 -49.44 61.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.35 111.222 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.63 29.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.35 110.93 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.87 51.13 57.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.818 -0.706 . . . . 0.35 112.592 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.594 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 93.0 m-20 -75.23 142.1 43.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.091 -0.337 . . . . 0.35 110.091 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.52 136.09 34.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.45 0.643 . . . . 0.35 112.288 -178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.538 ' HG ' ' HB2' ' A' ' 119' ' ' TYR . 1.0 OUTLIER -137.11 113.14 9.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.62 -1.173 . . . . 0.35 109.965 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.442 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 5.0 m-20 -104.7 149.15 25.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.273 0.559 . . . . 0.35 112.064 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.5 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -146.33 117.63 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.333 -0.849 . . . . 0.35 110.478 178.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.6 t -112.94 128.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.35 111.175 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.442 ' NH2' ' CZ3' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.36 115.48 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.35 110.829 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -127.76 148.41 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.35 110.563 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.444 HD13 ' CD2' ' A' ' 113' ' ' LEU . 7.5 mm -85.92 93.16 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.353 . . . . 0.35 111.645 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.516 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 3.1 tp -84.75 115.7 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.45 -0.574 . . . . 0.35 109.45 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.09 -126.33 33.15 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.829 -1.177 . . . . 0.35 111.714 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.22 13.52 33.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.924 0.392 . . . . 0.35 110.359 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 17.5 mt-10 -132.85 178.56 6.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.904 -0.589 . . . . 0.35 110.283 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.573 ' HG ' ' CZ3' ' A' ' 6' ' ' TRP . 0.9 OUTLIER -119.05 130.02 55.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.35 111.847 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.41 122.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.35 109.129 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 0.5 OUTLIER -112.65 138.77 48.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.338 0.589 . . . . 0.35 112.397 -178.082 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' THR . . . . . 0.413 ' CG2' ' HD2' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -138.24 110.82 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.113 -0.949 . . . . 0.35 109.495 179.044 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 6.7 m-85 -111.57 157.42 20.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.191 -0.459 . . . . 0.35 110.194 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 123' ' ' GLU . 7.2 p -151.31 141.16 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 120.704 0.288 . . . . 0.35 111.24 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.538 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 65.6 t80 -155.55 108.39 2.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.35 110.729 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.465 ' HG3' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 28.1 89.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.836 -0.62 . . . . 0.35 111.402 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 79.92 -31.58 2.26 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.235 -0.983 . . . . 0.35 112.784 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.689 HG13 ' CD1' ' A' ' 17' ' ' PHE . 12.3 t -83.06 146.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 0.35 111.985 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 3.8 tt0 -162.07 115.58 1.81 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.577 -0.738 . . . . 0.35 109.453 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.464 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -118.87 135.8 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.169 0.509 . . . . 0.35 111.475 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.478 ' N ' ' HD3' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -106.83 158.16 17.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.047 -1.094 . . . . 0.35 108.047 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.526 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 0.3 OUTLIER -162.78 122.85 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.558 -0.857 . . . . 0.35 113.051 -178.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.493 HG12 ' CG ' ' A' ' 10' ' ' ARG . 2.2 mm -89.95 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.207 -1.035 . . . . 0.35 108.207 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.867 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 13.7 t80 -130.63 155.39 46.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.36 0.874 . . . . 0.35 113.36 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -143.59 161.98 37.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.927 -1.033 . . . . 0.35 109.203 177.532 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -109.06 151.55 26.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.125 0.488 . . . . 0.35 111.738 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.274 -0.87 . . . . 0.35 110.963 179.886 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.794 0.33 . . . . 0.35 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.451 ' CE1' ' CD2' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -71.4 -54.99 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.35 110.883 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -52.74 104.38 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 0.35 110.808 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.03 -178.62 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.35 111.17 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.0 m -88.88 116.76 27.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.278 -0.638 . . . . 0.35 109.278 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.856 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.7 m0 -113.73 130.71 56.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.488 0.661 . . . . 0.35 111.736 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.4 pttt -117.84 123.96 47.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.192 -0.913 . . . . 0.35 110.358 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 36' ' ' LEU . 1.8 p -72.81 131.27 35.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.569 -0.741 . . . . 0.35 111.114 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.428 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.1 t70 -88.31 -61.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.35 111.125 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.482 ' CG ' ' CG1' ' A' ' 127' ' ' ILE . 0.1 OUTLIER -137.96 160.25 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.35 110.878 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -142.78 137.52 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.183 0.516 . . . . 0.35 111.101 179.376 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG3' ' CB ' ' A' ' 125' ' ' LYS . 3.8 pt-20 -117.38 127.23 53.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.532 -0.758 . . . . 0.35 109.447 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 3.6 m-20 68.1 8.57 6.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.189 -0.46 . . . . 0.35 110.943 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -56.18 -45.88 79.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.43 -0.952 . . . . 0.35 108.43 178.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.24 -36.11 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.247 0.546 . . . . 0.35 109.727 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -47.96 -39.53 19.62 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.36 -0.836 . . . . 0.35 110.745 179.077 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.628 ' CD1' HG13 ' A' ' 122' ' ' VAL . 2.8 m-85 -73.6 -35.67 65.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.721 -0.672 . . . . 0.35 109.839 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.506 ' HG2' ' CG ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -71.15 -21.78 62.14 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.61 -0.885 . . . . 0.35 108.61 176.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -85.8 -59.86 2.18 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.075 -0.966 . . . . 0.35 112.992 -178.085 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 2.0 tptp -64.2 -38.9 92.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.735 0.302 . . . . 0.35 111.123 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.6 mtp -85.01 -17.63 36.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.35 111.071 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.78 7.08 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.28 -0.962 . . . . 0.35 111.237 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' A' ' 18' ' ' MET . 73.0 t -81.65 130.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.838 0.352 . . . . 0.35 110.915 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 29.1 t30 -43.67 162.28 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.033 -0.53 . . . . 0.35 111.372 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' LYS . 4.0 tp -86.93 -45.86 16.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 0.35 112.227 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.4 t -51.3 -49.32 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.844 0.313 . . . . 0.35 111.844 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -76.8 -32.22 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.35 110.586 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.506 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 1.2 tmm_? -73.69 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.799 -0.637 . . . . 0.35 111.227 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ILE . 1.7 tptp -44.54 -58.47 2.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.35 111.762 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.37 -31.72 13.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.134 0.492 . . . . 0.35 110.484 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.536 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -69.14 -14.0 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.676 -0.693 . . . . 0.35 112.037 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.502 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -54.84 -45.97 74.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.745 0.646 . . . . 0.35 112.745 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.2 p-80 163.54 -37.37 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.213 0.449 . . . . 0.35 112.213 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.09 -50.99 59.79 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.66 0.615 . . . . 0.35 112.66 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.93 79.77 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.926 0.393 . . . . 0.35 111.69 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' HB3' HG11 ' A' ' 8' ' ' VAL . 14.2 tp -135.18 141.01 45.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.35 110.81 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -128.22 118.58 23.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.35 110.046 179.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 2.1 tp -104.86 134.48 47.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.472 -0.785 . . . . 0.35 109.189 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.6 m -123.65 161.11 25.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.35 111.688 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.438 HD13 ' CE2' ' A' ' 6' ' ' TRP . 46.5 mt -138.81 146.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.716 -0.674 . . . . 0.35 111.022 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -136.82 163.8 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.35 110.983 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -119.47 124.53 46.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.35 111.042 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -159.02 92.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.35 110.579 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.74 48.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.448 -0.882 . . . . 0.35 111.897 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 5.56 21.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.004 0.402 . . . . 0.35 110.79 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -122.3 144.52 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.35 111.514 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 5.5 m-30 -111.57 165.92 11.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.35 110.807 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -125.29 119.65 29.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.377 -0.374 . . . . 0.35 110.442 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -104.71 118.96 52.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.958 0.408 . . . . 0.35 110.937 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.98 119.31 39.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 0.35 110.885 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 7.0 mt-10 -107.36 117.82 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.35 110.848 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -132.55 143.22 49.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.35 111.279 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.8 m -149.85 146.94 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.35 110.722 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 38.05 -93.69 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.35 111.865 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -122.96 -27.05 4.29 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.672 0.272 . . . . 0.35 111.301 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -57.43 173.2 0.28 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.895 0.379 . . . . 0.35 111.191 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -141.67 131.38 24.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.35 110.932 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.402 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 7.3 mt -142.86 152.98 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.35 110.9 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.35 110.796 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 60' ' ' VAL . 7.2 p -172.94 97.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 0.35 111.742 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 1.9 p -60.04 155.31 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.64 -0.504 . . . . 0.35 109.64 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 17.3 m-85 -153.55 164.99 37.28 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.296 -0.561 . . . . 0.35 112.359 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 36.9 tt0 -127.72 152.49 47.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.425 -0.807 . . . . 0.35 111.028 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 33.4 mt -77.37 105.58 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.035 -0.529 . . . . 0.35 110.43 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.57 22.98 9.78 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.564 -0.827 . . . . 0.35 111.912 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 54.9 t -130.08 139.56 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.259 0.552 . . . . 0.35 110.446 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -50.21 145.53 5.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.264 -0.88 . . . . 0.35 112.512 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.649 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -83.02 160.62 21.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.955 -1.021 . . . . 0.35 109.104 178.836 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -142.64 140.54 31.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.35 111.847 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.499 -0.773 . . . . 0.35 110.19 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.783 0.325 . . . . 0.35 110.482 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.555 ' HB3' ' CG ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -135.67 124.93 24.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.385 . . . . 0.35 110.857 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 3.9 mtt85 -133.0 121.39 22.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.291 -0.413 . . . . 0.35 111.254 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.02 -111.14 0.84 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.582 -0.818 . . . . 0.35 112.345 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.9 p -158.35 175.62 13.49 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.02 0.438 . . . . 0.35 111.255 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.525 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 2.3 t90 -155.91 127.67 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.35 110.304 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.58 149.49 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 0.35 111.097 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' CD1' ' CE2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -104.5 133.64 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.35 110.732 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.45 94.42 4.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.35 111.056 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.06 -109.6 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.35 112.345 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.93 20.87 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.741 0.305 . . . . 0.35 111.032 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 156.79 48.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.35 110.695 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 2' ' ' PHE . 4.1 pp -129.57 123.09 30.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.35 110.916 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 mm -100.67 137.48 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.259 0.552 . . . . 0.35 111.668 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -136.73 152.5 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.349 -0.841 . . . . 0.35 111.092 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 157.79 41.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 0.35 111.23 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.627 ' CZ ' ' CD2' ' A' ' 68' ' ' PHE . 34.1 m-85 -136.29 173.27 11.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.685 -0.689 . . . . 0.35 110.666 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -148.19 132.45 17.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.335 -0.848 . . . . 0.35 109.994 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 119' ' ' TYR . 14.7 mtp180 -79.25 151.96 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.178 0.513 . . . . 0.35 111.327 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -23.8 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.212 -0.904 . . . . 0.35 111.22 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.63 -36.25 10.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.93 0.395 . . . . 0.35 111.085 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.97 39.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.54 . . . . 0.35 110.497 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . 0.455 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.34 65.68 2.63 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.954 -0.566 . . . . 0.35 112.587 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.622 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 54.2 m-80 -83.43 135.33 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.372 . . . . 0.35 110.169 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -69.99 136.13 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.35 112.027 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 119' ' ' TYR . 1.1 tt -142.6 111.22 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.35 109.829 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.455 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 3.2 m120 -104.32 150.45 24.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.322 0.582 . . . . 0.35 112.24 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.475 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -146.32 117.06 7.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.35 110.248 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 t -119.49 125.3 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.35 111.385 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -107.73 115.64 30.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.35 110.657 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.45 143.29 45.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.35 110.801 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 9.2 mm -88.86 94.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.382 . . . . 0.35 110.835 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.555 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 6.0 tp -86.26 58.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.824 0.821 . . . . 0.35 110.519 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.39 -129.42 9.28 Favored Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.137 -1.03 . . . . 0.35 111.733 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.96 -4.67 42.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.546 0.212 . . . . 0.35 110.83 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 42.2 mt-10 -124.83 173.97 8.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.995 0.426 . . . . 0.35 111.144 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -121.11 130.07 53.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.35 111.076 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.25 107.33 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.443 -0.577 . . . . 0.35 109.443 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.483 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -95.55 140.6 30.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.35 112.204 -178.405 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 109.64 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.826 . . . . 0.35 109.766 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.521 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 4.9 m-85 -109.51 159.84 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 0.35 110.173 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.469 ' HB ' ' HG3' ' A' ' 123' ' ' GLU . 12.3 p -151.52 139.74 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.652 0.263 . . . . 0.35 110.904 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.507 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 39.7 t80 -155.03 114.43 3.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 0.35 110.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 26.08 89.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.674 -0.694 . . . . 0.35 112.339 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 72.85 -6.54 12.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.576 -0.821 . . . . 0.35 113.737 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.628 HG13 ' CD1' ' A' ' 17' ' ' PHE . 13.2 t -107.79 143.8 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.35 111.667 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.469 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.0 tt0 -155.37 114.17 3.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.35 109.715 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -120.22 142.15 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.35 111.785 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -108.81 164.61 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.759 -0.83 . . . . 0.35 108.759 178.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -159.43 124.57 4.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.917 -0.713 . . . . 0.35 112.812 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.482 ' CG1' ' CG ' ' A' ' 10' ' ' ARG . 5.0 mm -85.39 148.69 4.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 108.795 -0.817 . . . . 0.35 108.795 177.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.856 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 50.2 t80 -130.18 153.9 48.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.154 0.798 . . . . 0.35 113.154 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.428 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 32.1 mmtm -143.49 157.91 44.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.661 -1.154 . . . . 0.35 109.058 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -108.07 151.15 26.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.05 0.453 . . . . 0.35 111.664 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.206 -0.902 . . . . 0.35 110.923 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.856 0.36 . . . . 0.35 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 84' ' ' LEU . 2.1 m-85 -89.43 -49.61 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.35 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 107.24 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.35 110.957 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.97 178.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.963 0.411 . . . . 0.35 111.346 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.424 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 77.6 m -88.64 125.0 34.62 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.747 -0.834 . . . . 0.35 108.747 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.834 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 19.4 m0 -116.73 127.84 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.35 112.895 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 1.6 pttt -116.65 122.55 44.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.915 -1.039 . . . . 0.35 110.198 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.424 ' CG2' ' HD3' ' A' ' 126' ' ' ARG . 8.5 p -67.02 130.82 32.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.257 -0.883 . . . . 0.35 110.943 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.411 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.0 t70 -89.78 -80.18 0.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.35 111.154 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.529 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.3 ptt180 -113.75 156.21 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.044 0.45 . . . . 0.35 110.755 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 p -130.23 144.3 51.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.35 110.878 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -137.01 132.4 34.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.936 -0.575 . . . . 0.35 110.376 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 62.49 11.87 4.98 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.464 0.65 . . . . 0.35 111.002 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.537 -0.912 . . . . 0.35 108.537 178.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 18' ' ' MET . 5.1 m-20 -54.2 -26.8 30.23 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.648 -0.705 . . . . 0.35 109.726 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.565 ' HG2' ' CG1' ' A' ' 122' ' ' VAL . 0.1 OUTLIER -55.7 -44.34 77.31 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.493 -0.776 . . . . 0.35 110.306 179.159 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PHE . . . . . 0.652 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.3 m-30 -70.65 -25.11 62.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.673 -0.694 . . . . 0.35 110.961 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.624 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.4 -30.77 70.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.35 110.34 178.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.79 -60.02 2.07 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.576 0.584 . . . . 0.35 112.576 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.517 ' CG ' ' CG2' ' A' ' 122' ' ' VAL . 0.6 OUTLIER -50.33 -47.99 55.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.786 0.327 . . . . 0.35 111.455 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.47 -27.66 22.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.35 111.067 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.61 54.47 2.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.59 -0.814 . . . . 0.35 112.084 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.624 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 6.6 t -87.52 122.05 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.35 110.504 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.17 178.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.274 0.559 . . . . 0.35 111.516 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.0 tt -90.76 -31.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.412 -0.813 . . . . 0.35 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -50.7 -51.04 21.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.771 -0.65 . . . . 0.35 111.405 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -85.62 -31.48 22.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.35 110.804 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.5 tmm_? -74.75 -20.85 59.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.35 111.774 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ILE . 5.5 mttm -47.21 -46.09 23.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.35 111.518 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.79 -35.13 9.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.35 110.434 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -68.75 -15.08 63.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.35 111.791 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -56.1 -47.78 77.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.872 0.323 . . . . 0.35 111.872 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 10.5 p80 164.24 -48.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.88 0.371 . . . . 0.35 111.628 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.47 -55.82 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.35 111.916 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -111.9 68.94 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.921 0.391 . . . . 0.35 111.305 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.4 ' HB3' HG11 ' A' ' 8' ' ' VAL . 25.2 tp -134.27 120.06 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.35 111.073 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.553 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 1.1 tmtp? -116.49 115.96 26.76 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.35 109.961 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.794 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 5.6 tp -108.15 123.33 48.57 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.555 -0.906 . . . . 0.35 108.555 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.5 m -118.48 153.6 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.35 112.251 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.417 HD12 ' CE2' ' A' ' 6' ' ' TRP . 41.5 mt -131.81 119.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.456 -0.793 . . . . 0.35 110.857 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.33 176.09 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.488 -0.324 . . . . 0.35 110.818 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.7 123.55 50.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.35 111.454 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -154.37 88.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.927 -0.579 . . . . 0.35 110.539 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.52 -138.14 37.43 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.802 . . . . 0.35 111.971 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.8 1.12 21.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.104 0.452 . . . . 0.35 110.833 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -113.68 149.21 35.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.323 0.582 . . . . 0.35 111.677 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' PHE . 20.9 m-85 -109.03 132.72 53.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.35 110.488 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 128.54 37.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.695 0.283 . . . . 0.35 110.538 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.519 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 10.2 t -106.92 124.96 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.35 111.668 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -117.86 112.24 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.615 -0.721 . . . . 0.35 110.225 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -98.48 142.76 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.35 111.116 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -129.86 143.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.859 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.28 -178.52 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.35 110.795 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.89 -16.71 15.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.35 111.587 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -111.09 -26.68 9.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.664 0.269 . . . . 0.35 111.306 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.18 -166.85 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.35 111.047 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -135.37 159.23 42.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.35 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 mt -150.11 162.33 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.35 110.781 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -175.71 169.98 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.35 111.361 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.439 HG11 ' CE1' ' A' ' 62' ' ' PHE . 4.2 p 178.07 125.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.35 110.86 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.21 142.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.863 0.363 . . . . 0.35 110.292 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CZ ' ' CZ ' ' A' ' 68' ' ' PHE . 21.4 m-30 -122.14 154.04 37.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.35 110.56 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.628 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -149.93 154.36 38.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.293 -0.867 . . . . 0.35 109.794 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -81.88 99.11 8.86 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.283 -0.567 . . . . 0.35 109.651 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.42 24.82 5.21 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.608 -0.806 . . . . 0.35 113.193 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.628 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 1.4 p -122.31 161.28 23.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.032 0.444 . . . . 0.35 110.403 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -87.45 143.62 27.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 0.35 110.552 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.639 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -82.42 156.12 24.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.739 -0.664 . . . . 0.35 110.87 -179.585 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -142.6 118.83 10.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.35 111.147 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TYR . . . . . 0.405 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.35 110.287 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.231 0.119 0 N-CA-C 110.094 -0.335 . . . . 0.35 110.094 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -102.76 118.21 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.35 111.374 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ARG . . . . . 0.806 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 1.6 ttp180 -124.85 117.72 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.772 -0.649 . . . . 0.35 110.906 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLY . . . . . 0.604 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.27 -126.17 2.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.176 -1.011 . . . . 0.35 112.67 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.6 p -157.72 175.38 13.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.199 0.523 . . . . 0.35 111.409 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' TRP . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -145.83 127.96 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.35 109.471 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 m -138.43 149.54 45.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.35 111.344 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -121.46 124.99 45.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.609 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -114.04 94.31 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.892 -0.594 . . . . 0.35 110.767 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.39 -101.5 0.29 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.541 -0.838 . . . . 0.35 111.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.88 21.07 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.72 0.295 . . . . 0.35 110.794 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -124.39 148.84 47.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.939 0.4 . . . . 0.35 111.084 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . 0.447 ' CD2' ' CZ3' ' A' ' 82' ' ' TRP . 1.7 tm? -129.7 128.48 42.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.35 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.53 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.228 0.537 . . . . 0.35 111.957 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLY . . . . . 0.516 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -130.69 156.61 21.75 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.368 -0.833 . . . . 0.35 111.102 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -152.05 158.9 43.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.169 0.484 . . . . 0.35 111.719 -178.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PHE . . . . . 0.639 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 52.2 m-85 -141.69 170.6 15.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.763 -0.653 . . . . 0.35 109.872 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.806 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.62 124.1 8.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.35 110.137 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.545 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.2 mtp180 -76.25 144.9 40.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.545 . . . . 0.35 111.261 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -21.76 43.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.35 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.7 -38.67 48.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.35 111.082 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.79 31.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.35 110.838 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.6 36.99 66.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.69 . . . . 0.35 112.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.619 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 27.5 m120 -63.48 136.24 57.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.929 -0.397 . . . . 0.35 109.929 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 8.7 mm-40 -83.21 149.36 26.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 0.35 111.702 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 119' ' ' TYR . 4.3 tt -143.83 111.92 6.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.065 -0.97 . . . . 0.35 110.467 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.404 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 3.8 m120 -102.94 150.6 23.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.35 111.364 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' THR . . . . . 0.438 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -146.04 117.55 8.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.567 -0.742 . . . . 0.35 110.486 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.59 118.49 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.35 111.145 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -114.17 116.26 28.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.35 110.832 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.22 137.38 52.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.35 110.597 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 113' ' ' LEU . 8.4 mm -75.1 83.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.35 111.037 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.485 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.5 tp -75.42 118.53 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.738 -0.467 . . . . 0.35 109.738 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 48.98 -121.13 7.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 119.976 -1.107 . . . . 0.35 111.892 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 15.91 27.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.445 . . . . 0.35 110.261 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 26.0 mt-10 -132.8 177.79 7.37 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.041 -0.527 . . . . 0.35 110.421 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.54 ' HG ' ' CZ3' ' A' ' 6' ' ' TRP . 2.2 mm? -119.76 130.35 54.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.063 0.459 . . . . 0.35 111.864 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.53 107.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.718 -0.674 . . . . 0.35 109.348 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLN . . . . . 0.51 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.2 mt-30 -94.18 138.89 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.191 0.519 . . . . 0.35 112.209 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.93 114.35 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.358 -0.837 . . . . 0.35 109.747 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' TYR . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.3 m-85 -115.95 156.51 26.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.364 -0.38 . . . . 0.35 110.494 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' VAL . . . . . 0.494 ' HB ' ' HG3' ' A' ' 123' ' ' GLU . 9.9 p -150.98 129.76 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 120.671 0.272 . . . . 0.35 111.511 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' TYR . . . . . 0.526 ' HB2' ' CD1' ' A' ' 102' ' ' LEU . 43.1 t80 -139.94 116.16 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.35 110.471 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 9.6 mm-40 25.03 89.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.544 -0.753 . . . . 0.35 112.998 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.2 -36.99 2.87 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.676 -0.773 . . . . 0.35 114.65 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.652 HG12 ' CE1' ' A' ' 17' ' ' PHE . 3.2 t -95.67 144.26 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.795 0.665 . . . . 0.35 112.795 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.494 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 3.7 tt0 -140.9 117.59 10.96 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.985 -1.007 . . . . 0.35 109.314 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ALA . . . . . 0.508 ' HA ' ' CB ' ' A' ' 13' ' ' ASN . . . -120.4 136.08 54.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.35 111.525 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -108.04 164.81 11.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.35 109.489 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 4.6 ttm180 -159.41 116.22 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.463 -0.495 . . . . 0.35 112.188 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ILE . . . . . 0.529 HG12 ' HG3' ' A' ' 10' ' ' ARG . 3.7 mm -80.87 138.08 20.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 108.915 -0.772 . . . . 0.35 108.915 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' PHE . . . . . 0.834 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 29.9 t80 -117.89 153.9 32.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.497 0.665 . . . . 0.35 112.764 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 3.5 mmmm -143.01 161.87 36.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.824 -1.08 . . . . 0.35 109.076 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 151.72 22.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.171 0.51 . . . . 0.35 111.939 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.185 -0.912 . . . . 0.35 110.953 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.868 0.366 . . . . 0.35 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.441 ' CZ ' ' CD2' ' A' ' 89' ' ' LEU . 1.9 m-85 -89.5 -48.86 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.35 110.901 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.47 110.84 0.61 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.202 -0.454 . . . . 0.35 110.969 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.4 178.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.409 . . . . 0.35 111.124 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.2 m -88.79 121.0 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.054 -0.721 . . . . 0.35 109.054 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.849 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 19.3 m0 -114.46 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.512 0.672 . . . . 0.35 112.091 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.519 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -120.53 112.98 19.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.796 -1.093 . . . . 0.35 110.255 178.948 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -64.2 139.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.35 111.098 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -100.84 -73.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.378 -0.374 . . . . 0.35 111.222 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.539 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.1 ptp85 -118.39 161.82 19.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.35 110.863 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.486 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 12.7 p -139.04 161.97 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.35 111.105 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -138.99 129.64 26.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.35 110.676 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.489 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 5.8 m-20 59.6 16.59 5.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.124 0.488 . . . . 0.35 111.19 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.51 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 9.4 t80 -56.74 -44.49 81.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.432 -0.581 . . . . 0.35 109.432 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 18' ' ' MET . 24.6 t0 -57.7 -30.63 65.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.823 -0.626 . . . . 0.35 109.616 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.518 ' HG2' ' CG1' ' A' ' 122' ' ' VAL . 1.0 OUTLIER -51.97 -42.72 63.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.397 -0.819 . . . . 0.35 110.493 179.238 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.704 ' CD1' HG11 ' A' ' 122' ' ' VAL . 2.1 m-85 -71.09 -30.4 66.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.578 -0.737 . . . . 0.35 110.784 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.558 ' CG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -64.94 -32.05 73.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.35 111.181 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -87.75 -60.7 1.9 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.808 0.67 . . . . 0.35 112.808 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.502 ' HD3' HG23 ' A' ' 122' ' ' VAL . 2.0 tptp -58.36 -38.19 76.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.35 111.36 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.451 ' HG2' ' CD2' ' A' ' 119' ' ' TYR . 4.9 mtm -90.08 -17.54 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.521 -0.309 . . . . 0.35 110.959 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.51 50.15 21.86 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.35 111.937 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.475 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 5.7 t -87.18 125.66 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.35 110.789 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -50.34 156.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.183 0.516 . . . . 0.35 111.236 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.436 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 14.4 tt -88.72 -40.21 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.566 -0.743 . . . . 0.35 111.242 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 22.5 t -52.84 -44.16 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.35 111.209 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -32.36 45.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.185 0.517 . . . . 0.35 109.953 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.558 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.2 tmm_? -73.24 -20.2 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.517 -0.765 . . . . 0.35 111.364 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' HD3' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -42.09 -56.43 2.85 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.93 0.344 . . . . 0.35 111.93 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 11.7 mt -98.22 -21.98 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.35 111.056 -179.57 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -78.85 -14.67 59.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.35 111.576 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.51 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . . . -55.84 -48.24 75.83 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.043 0.386 . . . . 0.35 112.043 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.495 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 6.3 p-80 165.26 -39.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.804 0.335 . . . . 0.35 111.548 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 5.4 p30 -54.54 -58.06 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.35 111.878 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.53 63.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.967 0.413 . . . . 0.35 111.022 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -120.83 127.07 51.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.35 111.043 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.446 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.5 tppt? -115.52 119.98 37.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.88 -0.6 . . . . 0.35 109.872 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.849 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 4.9 tp -112.22 111.75 22.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.493 -0.776 . . . . 0.35 109.376 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.416 ' HB ' ' HB3' ' A' ' 50' ' ' LYS . 58.5 m -100.66 144.89 29.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.932 0.396 . . . . 0.35 111.519 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.423 HD12 ' CE2' ' A' ' 6' ' ' TRP . 77.3 mt -122.4 125.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 0.35 111.203 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.65 66.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.35 110.167 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.45 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 44.3 mt-30 -51.51 119.58 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.35 111.77 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.81 100.97 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.35 110.03 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.77 -128.87 45.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.481 -0.866 . . . . 0.35 111.691 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.69 15.11 8.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 117.288 0.544 . . . . 0.35 110.646 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.545 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -138.16 137.68 37.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.362 -0.381 . . . . 0.35 111.234 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' PHE . 10.6 m-30 -112.07 132.43 54.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.35 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.71 137.92 31.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.587 -0.279 . . . . 0.35 110.623 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.488 HG22 ' CZ ' ' A' ' 62' ' ' PHE . 18.7 t -119.56 111.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.989 0.423 . . . . 0.35 111.514 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' HB3' ' HB ' ' A' ' 39' ' ' THR . 16.8 tptm -107.01 111.79 24.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 0.35 110.109 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.9 mt-10 -96.9 134.1 40.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.071 0.462 . . . . 0.35 111.382 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -116.14 140.07 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.35 110.597 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.5 171.53 16.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.35 110.781 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.71 -69.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.35 111.259 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.52 -26.69 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.35 111.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 153.94 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.35 111.008 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.52 147.78 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.35 110.845 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.412 ' HB ' ' HB2' ' A' ' 51' ' ' GLU . 3.3 mt -146.2 155.41 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.35 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 1.5 tt0 -169.41 144.22 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.35 110.838 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG12 ' CE1' ' A' ' 62' ' ' PHE . 5.6 p -156.79 121.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.35 111.301 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.477 ' HB ' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -75.73 150.39 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.723 -0.473 . . . . 0.35 109.723 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.585 ' CD1' ' CE1' ' A' ' 68' ' ' PHE . 21.6 m-30 -124.89 151.24 45.6 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 120.821 0.343 . . . . 0.35 110.487 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.545 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 19.2 tt0 -149.37 118.39 6.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.781 -0.645 . . . . 0.35 110.466 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 44.5 mt -60.03 107.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.35 110.742 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.26 25.55 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.904 -0.665 . . . . 0.35 111.967 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.423 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 48.5 t -136.54 160.84 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.379 . . . . 0.35 110.412 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.642 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -84.07 148.3 26.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 0.35 112.221 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.585 ' CE1' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -83.28 153.82 24.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.296 -0.865 . . . . 0.35 109.806 179.16 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -136.55 126.59 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.35 111.436 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.452 ' CE1' ' C15' ' A' ' 201' ' ' KTR . 0.1 OUTLIER -154.57 39.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.35 110.546 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -70.68 113.36 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.563 . . . . 0.35 110.886 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tp -142.38 97.36 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.35 110.892 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.28 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.35 111.145 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -30.64 67.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.35 110.927 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.7 -77.53 0.29 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.715 -0.755 . . . . 0.35 112.498 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.6 t -158.39 165.34 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.35 111.284 -179.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -126.46 121.69 33.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.35 110.594 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.54 ' HB3' ' HB3' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -135.82 124.41 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.956 0.408 . . . . 0.35 111.242 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.791 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -128.1 125.13 38.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.35 110.921 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.642 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -146.03 -120.17 1.27 Allowed Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.01 -1.09 . . . . 0.35 112.815 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.3 p -158.02 175.45 13.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.923 0.392 . . . . 0.35 110.89 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.583 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.4 OUTLIER -152.29 128.19 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.35 110.502 179.47 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -147.1 149.25 32.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.35 110.733 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.47 129.11 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.35 110.995 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -115.55 94.52 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.827 -0.624 . . . . 0.35 110.494 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.75 -103.77 1.7 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.642 -0.789 . . . . 0.35 112.223 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -114.53 20.98 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.638 0.256 . . . . 0.35 111.219 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -134.3 142.68 47.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.35 111.218 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.441 ' CD2' ' CZ ' ' A' ' 2' ' ' PHE . 3.8 pp -116.3 139.48 50.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.35 110.589 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -128.54 95.73 2.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.35 111.845 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.466 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -85.17 167.75 41.91 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.03 -0.605 . . . . 0.35 111.938 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' THR . 1.0 OUTLIER -154.88 158.64 39.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.026 0.441 . . . . 0.35 111.81 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.57 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 59.1 m-85 -144.88 171.45 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.35 109.984 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.791 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -153.71 127.31 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 0.35 110.195 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.463 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -77.1 145.69 37.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.026 0.441 . . . . 0.35 111.095 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.96 -20.27 49.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.535 -0.757 . . . . 0.35 110.981 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -50.69 -49.79 56.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.442 -0.345 . . . . 0.35 111.12 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -155.72 30.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.35 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.6 49.85 67.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.858 -0.687 . . . . 0.35 112.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.615 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 23.6 m120 -73.73 137.46 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.16 -0.311 . . . . 0.35 110.16 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.29 139.46 33.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.35 111.832 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.495 ' CD1' ' HB2' ' A' ' 119' ' ' TYR . 4.5 tt -135.5 127.47 29.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.976 -1.011 . . . . 0.35 110.808 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.45 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 2.0 m120 -121.31 148.63 44.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.932 0.396 . . . . 0.35 111.663 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.422 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 4.7 t -146.81 128.39 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 0.35 110.885 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.27 114.82 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.35 111.153 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 28.5 mtt180 -105.93 116.36 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.35 110.82 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -113.18 155.42 25.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.35 110.72 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.42 ' HA ' HD11 ' A' ' 113' ' ' LEU . 4.7 mm -91.32 93.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.35 110.538 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.558 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 6.1 tp -83.75 59.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.803 0.811 . . . . 0.35 110.717 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.69 -127.95 8.41 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 120.034 -1.079 . . . . 0.35 111.977 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.03 -4.3 40.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.751 -0.224 . . . . 0.35 111.149 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -128.5 175.63 8.38 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.027 0.441 . . . . 0.35 111.168 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.511 ' HG ' ' CZ3' ' A' ' 6' ' ' TRP . 1.7 mm? -121.35 130.5 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.35 111.188 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.7 p -105.24 108.02 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.35 109.783 178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.471 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 5.3 mt-30 -98.08 139.94 33.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.203 0.525 . . . . 0.35 112.089 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.08 114.15 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.402 -0.817 . . . . 0.35 109.711 179.119 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.456 ' N ' ' CD1' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -114.31 149.7 35.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.35 110.57 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.494 ' HA ' ' HA ' ' A' ' 123' ' ' GLU . 10.0 p -139.29 143.21 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.35 110.616 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.497 ' CE1' ' CB ' ' A' ' 100' ' ' ASN . 68.4 t80 -155.34 104.02 2.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 0.35 110.072 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.9 OUTLIER 26.08 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.415 -0.811 . . . . 0.35 112.222 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 78.52 -19.57 4.78 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.928 -0.653 . . . . 0.35 114.292 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.704 HG11 ' CD1' ' A' ' 17' ' ' PHE . 54.1 t -107.18 108.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.388 0.594 . . . . 0.35 112.472 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.494 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.2 OUTLIER -115.96 117.76 31.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.897 -0.592 . . . . 0.35 109.75 178.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.518 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -119.49 135.75 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.35 111.071 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.12 164.83 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.264 -0.643 . . . . 0.35 109.264 179.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.471 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 7.4 ttp85 -159.96 114.43 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.102 -0.639 . . . . 0.35 112.622 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.539 HG12 ' HG3' ' A' ' 10' ' ' ARG . 4.0 mm -80.78 138.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.762 -0.829 . . . . 0.35 108.762 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.839 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 33.5 t80 -117.43 155.75 29.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.059 0.762 . . . . 0.35 113.059 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 38.4 mttm -142.77 161.38 38.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.65 -1.159 . . . . 0.35 109.197 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -108.71 151.55 26.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.494 . . . . 0.35 111.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.224 -0.893 . . . . 0.35 110.941 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' KTR . . . . . 0.452 ' C15' ' CE1' ' A' ' 70' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.872 0.368 . . . . 0.35 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.454 ' CE1' HD22 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -89.48 -55.22 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.35 110.863 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.35 110.641 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.3 -175.78 0.15 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.905 0.383 . . . . 0.35 111.3 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -88.95 116.62 27.37 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.231 -0.655 . . . . 0.35 109.231 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.845 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.5 m0 -114.37 125.89 54.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.689 0.757 . . . . 0.35 112.177 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.516 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -116.65 123.61 47.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.933 -1.03 . . . . 0.35 109.87 178.185 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 2.6 p -72.99 135.63 27.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.576 -0.738 . . . . 0.35 111.392 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.404 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 32.4 t70 -95.04 -75.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.35 111.221 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' CG ' ' CG1' ' A' ' 127' ' ' ILE . 0.0 OUTLIER -113.89 155.14 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.35 110.694 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 93.3 p -130.26 153.18 48.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.012 0.434 . . . . 0.35 111.094 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.72 123.71 24.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.888 -0.597 . . . . 0.35 110.734 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.485 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 1.8 m120 60.86 14.34 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.35 111.594 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -56.61 -43.72 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.107 -0.701 . . . . 0.35 109.107 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' A' ' 18' ' ' MET . 3.6 t70 -56.26 -31.33 63.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.679 -0.691 . . . . 0.35 109.519 178.104 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.554 ' HG2' ' CG1' ' A' ' 122' ' ' VAL . 0.1 OUTLIER -53.7 -43.66 69.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.35 110.473 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.663 ' CD1' HG12 ' A' ' 122' ' ' VAL . 1.9 m-85 -72.18 -23.55 61.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.693 -0.685 . . . . 0.35 110.627 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.603 ' CG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.38 -36.35 74.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.124 -0.489 . . . . 0.35 110.666 178.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.61 -60.94 1.84 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.698 0.629 . . . . 0.35 112.698 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' HD3' HG23 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -52.85 -47.25 67.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.69 0.281 . . . . 0.35 111.265 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.473 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 3.5 tmm? -77.16 -28.41 54.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.388 -0.369 . . . . 0.35 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.14 72.03 0.99 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 0.35 112.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.453 HG22 ' HG3' ' A' ' 18' ' ' MET . 5.9 m -97.04 -178.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.35 110.871 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.87 120.48 40.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.35 110.419 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.42 HG22 HD12 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -53.69 -31.81 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.35 111.138 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.3 t -50.82 -49.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.847 -0.615 . . . . 0.35 111.799 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -32.2 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.35 110.676 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.603 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.5 tmm_? -63.87 -21.61 66.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.35 111.199 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -48.48 -39.83 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.35 111.177 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.407 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 2.1 mt -107.9 -13.82 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.35 111.054 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.28 -14.43 26.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.35 111.719 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.461 ' O ' ' CB ' ' A' ' 33' ' ' HIS . . . -55.62 -47.36 76.7 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.943 0.349 . . . . 0.35 111.943 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.7 p-80 160.11 -38.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.796 0.331 . . . . 0.35 111.414 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.59 -57.88 10.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.35 111.676 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -116.15 49.14 1.15 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.35 111.147 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -102.17 122.78 44.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.35 110.965 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 1.9 tppp? -114.32 116.76 29.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.89 -0.596 . . . . 0.35 110.093 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.713 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.7 tp -111.26 128.78 56.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.156 -0.929 . . . . 0.35 108.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.446 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 90.3 m -124.41 161.44 25.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.949 0.404 . . . . 0.35 111.645 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.471 HD13 ' CE2' ' A' ' 6' ' ' TRP . 43.0 mt -139.15 128.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.838 -0.619 . . . . 0.35 111.322 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.447 ' HB ' ' OG1' ' A' ' 48' ' ' THR . 0.2 OUTLIER -122.15 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.35 109.964 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.8 tm0? -138.13 129.69 27.92 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.771 0.656 . . . . 0.35 112.771 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.467 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -155.31 95.78 1.74 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.226 -0.897 . . . . 0.35 109.203 178.285 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.89 -139.72 48.3 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 119.994 -1.098 . . . . 0.35 111.36 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.13 1.21 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.238 0.519 . . . . 0.35 110.907 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.625 ' HE3' ' C ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -109.08 142.21 40.12 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.113 0.482 . . . . 0.35 110.96 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.625 ' C ' ' HE3' ' A' ' 46' ' ' LYS . 21.0 m-30 -109.74 147.76 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.721 -0.672 . . . . 0.35 111.027 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.447 ' OG1' ' HB ' ' A' ' 41' ' ' THR . 0.3 OUTLIER -107.28 120.19 41.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.917 0.389 . . . . 0.35 111.1 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.47 HG23 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -103.16 111.11 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.35 110.388 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.98 111.9 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.099 -0.5 . . . . 0.35 110.612 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 -98.33 119.08 36.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.35 110.817 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.89 142.87 32.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.35 110.999 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.514 ' O ' ' C ' ' A' ' 54' ' ' ALA . 0.3 OUTLIER -149.36 147.79 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.35 110.813 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 53' ' ' SER . . . 8.4 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.846 0.684 . . . . 0.35 112.846 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 56' ' ' ARG . 6.2 p90 -122.59 -27.32 4.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.615 -0.266 . . . . 0.35 111.283 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.403 ' N ' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -64.11 -178.35 0.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.35 110.866 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.64 125.85 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.35 111.009 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.446 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 45.4 mt -125.09 147.79 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.35 110.733 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.402 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 30.5 tt0 -158.91 162.05 36.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.488 -0.324 . . . . 0.35 111.117 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.48 ' CG1' ' N ' ' A' ' 61' ' ' VAL . 23.1 t -160.65 159.66 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.154 -0.475 . . . . 0.35 111.309 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.48 ' N ' ' CG1' ' A' ' 60' ' ' VAL . 2.5 t -126.66 147.84 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.35 109.673 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.533 ' HB3' ' CD1' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -156.82 124.94 5.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.666 0.746 . . . . 0.35 110.959 179.443 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 4.3 tt0 -107.9 142.27 38.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.605 -1.179 . . . . 0.35 110.96 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.35 104.3 0.25 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.35 110.664 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.67 16.92 29.94 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.35 112.01 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.413 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -131.73 131.36 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.245 0.545 . . . . 0.35 110.599 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 4.4 m -41.28 142.85 0.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.35 112.8 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -81.65 151.68 27.48 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.039 -0.726 . . . . 0.35 109.039 178.625 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -124.05 118.58 27.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.133 0.492 . . . . 0.35 112.013 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.436 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 1.5 t80 -160.21 51.55 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.609 -0.723 . . . . 0.35 109.95 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.465 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 22.2 p-10 -114.8 105.14 12.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.789 -0.641 . . . . 0.35 111.405 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.423 ' CD2' ' N ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -151.87 158.63 43.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.35 110.895 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.62 38.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.35 111.08 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -97.66 29.57 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.35 110.753 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.402 ' O ' ' C14' ' A' ' 201' ' ' KTR . . . 177.19 34.56 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.35 112.71 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.405 ' CG2' HD13 ' A' ' 78' ' ' LEU . 14.8 t 44.21 -159.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.84 0.352 . . . . 0.35 111.25 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 4.3 mt-10 -121.72 109.65 14.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.069 -0.514 . . . . 0.35 111.282 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.534 ' HB3' ' HB3' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -125.05 116.65 22.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.984 0.421 . . . . 0.35 110.533 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.443 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 0.1 OUTLIER -124.57 121.55 35.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 0.35 111.02 -179.531 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.52 -123.05 1.64 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.172 -1.013 . . . . 0.35 112.79 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.608 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 19.1 p -157.72 150.4 22.85 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.89 0.376 . . . . 0.35 111.055 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.451 ' CD1' ' CA ' ' A' ' 91' ' ' GLY . 0.3 OUTLIER -127.51 127.07 43.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.35 110.347 179.383 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.25 149.36 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 0.35 110.974 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.35 129.84 54.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.35 110.934 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -119.61 99.32 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.35 110.675 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.62 -106.75 2.17 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.655 -0.784 . . . . 0.35 112.355 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -114.59 20.89 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.663 0.268 . . . . 0.35 111.317 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.1 144.53 47.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.404 . . . . 0.35 111.188 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.454 HD22 ' CE1' ' A' ' 2' ' ' PHE . 4.1 pp -114.2 140.38 48.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.35 110.752 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mp -128.33 96.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.35 111.576 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.451 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -84.73 167.11 42.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.027 -0.606 . . . . 0.35 112.023 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.576 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -153.86 155.02 34.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.418 . . . . 0.35 111.457 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.763 ' CZ ' ' CD2' ' A' ' 68' ' ' PHE . 71.8 m-85 -145.35 171.26 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.848 -0.614 . . . . 0.35 110.386 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.487 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -152.61 130.78 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.352 -0.84 . . . . 0.35 110.114 177.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.468 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.5 mtp180 -75.82 140.8 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.115 -0.493 . . . . 0.35 111.048 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -22.56 62.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.472 -0.785 . . . . 0.35 111.097 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.71 -41.24 55.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.35 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -171.71 35.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.35 110.666 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.474 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.93 62.75 4.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.35 112.754 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.487 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 9.9 m-20 -79.3 132.74 36.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.35 110.315 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.416 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 30.4 mt-10 -66.93 132.25 47.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.564 . . . . 0.35 111.589 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.432 ' HB2' ' HD2' ' A' ' 119' ' ' TYR . 1.8 tt -140.93 111.2 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.175 -0.92 . . . . 0.35 110.402 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.576 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 0.6 OUTLIER -104.87 149.67 25.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.221 0.534 . . . . 0.35 111.496 -179.233 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.487 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 2.1 p -141.2 117.52 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.42 -0.809 . . . . 0.35 110.214 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 16.4 t -123.26 124.48 70.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.35 111.3 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.447 ' CZ ' ' CZ3' ' A' ' 6' ' ' TRP . 11.9 ttm180 -124.94 116.39 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 0.35 110.589 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.19 156.45 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.35 110.792 -179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.465 ' HA ' HD11 ' A' ' 113' ' ' LEU . 4.6 mm -90.94 95.28 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.35 110.739 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.572 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.4 tp -84.92 58.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.826 0.822 . . . . 0.35 110.588 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.02 -128.76 8.87 Favored Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 120.113 -1.041 . . . . 0.35 111.872 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.8 -5.17 41.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.193 . . . . 0.35 110.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 53.5 mt-10 -128.5 176.47 7.73 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.022 0.439 . . . . 0.35 111.097 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.541 ' HG ' ' CZ3' ' A' ' 6' ' ' TRP . 1.3 mm? -121.64 141.13 51.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.856 -0.611 . . . . 0.35 111.42 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 4.1 p -114.59 107.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.305 -0.628 . . . . 0.35 109.305 178.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.465 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.0 mt-30 -93.43 139.99 30.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.35 112.278 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.35 113.74 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.216 -0.902 . . . . 0.35 109.443 179.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.487 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 5.9 m-85 -117.03 159.46 22.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.35 110.649 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.457 ' CG1' ' HB2' ' A' ' 103' ' ' ASN . 11.6 p -151.16 140.24 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.292 -0.413 . . . . 0.35 110.925 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.445 ' CE2' ' CB ' ' A' ' 100' ' ' ASN . 8.1 t80 -154.85 104.55 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.066 0.46 . . . . 0.35 110.607 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.39 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.35 112.09 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.87 -13.98 0.84 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.861 0.704 . . . . 0.35 114.861 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.663 HG12 ' CD1' ' A' ' 17' ' ' PHE . 9.4 t -107.87 111.76 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.9 0.85 . . . . 0.35 112.299 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -114.52 119.58 37.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.825 -0.625 . . . . 0.35 109.799 178.557 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.507 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -122.31 137.67 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.35 111.928 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.36 165.59 11.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.733 -0.667 . . . . 0.35 109.445 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.457 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 10.7 ttp-105 -162.01 115.1 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.284 -0.566 . . . . 0.35 112.435 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.51 ' CG1' ' CG ' ' A' ' 10' ' ' ARG . 6.5 mm -77.98 138.21 20.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.198 -0.667 . . . . 0.35 109.198 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.845 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 36.2 t80 -119.52 156.32 30.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.0 0.741 . . . . 0.35 113.0 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -143.19 155.11 44.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 114.8 -1.091 . . . . 0.35 108.988 178.06 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.24 151.63 25.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.164 0.507 . . . . 0.35 111.768 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.97 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' KTR . . . . . 0.494 ' O3 ' ' CE2' ' A' ' 17' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.785 0.326 . . . . 0.35 111.067 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.438 ' CZ ' HD13 ' A' ' 89' ' ' LEU . 9.1 m-85 -85.73 -47.24 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.35 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.79 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.391 -0.368 . . . . 0.35 110.634 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 -173.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.923 0.392 . . . . 0.35 111.195 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -88.94 117.97 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.37 -0.604 . . . . 0.35 109.37 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.839 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 14.0 m0 -118.24 121.25 40.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.508 0.67 . . . . 0.35 111.404 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.435 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 5.1 pttp -115.81 119.65 36.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.848 -1.069 . . . . 0.35 110.474 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.421 ' CG1' ' HB3' ' A' ' 36' ' ' LEU . 4.2 p -65.07 135.23 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.503 -0.771 . . . . 0.35 111.818 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.52 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -81.01 -62.46 1.66 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.459 . . . . 0.35 110.572 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.461 ' CG ' ' HB ' ' A' ' 127' ' ' ILE . 3.6 ptp180 -135.14 158.42 44.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.021 0.439 . . . . 0.35 111.118 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.417 ' HB2' ' HB2' ' A' ' 33' ' ' HIS . 15.7 m -119.41 147.93 43.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.35 111.037 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.21 128.14 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.35 110.835 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.449 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.3 m-20 59.35 14.59 3.81 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.144 0.497 . . . . 0.35 111.251 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.194 -0.669 . . . . 0.35 109.194 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 18' ' ' MET . 2.0 t70 -54.01 -29.82 44.96 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.902 -0.59 . . . . 0.35 110.09 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.449 ' CB ' ' O ' ' A' ' 13' ' ' ASN . 0.4 OUTLIER -55.1 -42.23 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.35 110.519 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.615 ' CD1' HG13 ' A' ' 122' ' ' VAL . 2.2 m-85 -72.54 -24.54 61.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.633 -0.712 . . . . 0.35 111.024 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.641 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.58 -33.1 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.901 -0.32 . . . . 0.35 110.513 178.718 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.12 -61.47 1.8 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.115 0.783 . . . . 0.35 113.115 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.483 ' CB ' ' CG2' ' A' ' 122' ' ' VAL . 0.7 OUTLIER -64.19 -47.35 80.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.35 111.35 -179.119 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.457 ' CB ' ' O ' ' A' ' 17' ' ' PHE . 1.7 ttp -72.83 -25.05 60.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.35 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.99 63.17 2.33 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.441 -0.885 . . . . 0.35 111.747 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.641 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.4 t -106.54 112.42 39.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.35 110.864 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -53.54 172.08 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.369 0.604 . . . . 0.35 111.66 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -88.62 -33.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.181 -0.918 . . . . 0.35 111.165 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.0 t -48.84 -52.15 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.988 -0.551 . . . . 0.35 111.535 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -30.92 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.35 110.953 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.576 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 1.9 tmm_? -73.78 -22.02 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.35 111.754 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ILE . 11.9 mttt -44.0 -36.28 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.35 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' HA ' ' HB2' ' A' ' 35' ' ' ASN . 0.9 OUTLIER -104.39 -45.53 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.087 0.47 . . . . 0.35 110.486 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -62.77 -14.44 44.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.727 -0.669 . . . . 0.35 111.821 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' HB1' ' O ' ' A' ' 28' ' ' ARG . . . -53.68 -45.62 70.38 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.599 0.592 . . . . 0.35 112.599 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 1.5 t-160 177.7 -73.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.464 0.542 . . . . 0.35 112.464 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.8 m-20 -48.93 -49.93 37.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.35 112.551 -178.08 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.467 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -101.87 61.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.903 0.382 . . . . 0.35 111.675 -178.912 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.421 ' HB3' ' CG1' ' A' ' 8' ' ' VAL . 50.1 tp -122.72 115.88 22.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.923 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.487 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -116.05 116.84 28.61 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.803 -0.635 . . . . 0.35 109.853 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.783 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -108.75 112.73 25.17 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.109 -0.95 . . . . 0.35 109.451 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -103.64 152.99 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.051 0.453 . . . . 0.35 111.741 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.418 HD11 ' CD2' ' A' ' 6' ' ' TRP . 61.5 mt -134.58 131.9 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.35 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.406 ' HB ' ' CB ' ' A' ' 48' ' ' THR . 3.1 m -124.14 157.05 35.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.35 110.773 179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.8 114.68 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.35 111.341 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -147.88 89.79 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.35 110.415 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.81 -139.27 40.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.47 -0.872 . . . . 0.35 111.715 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -80.02 3.22 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.18 0.49 . . . . 0.35 110.875 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.85 136.78 52.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.229 0.538 . . . . 0.35 111.381 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' PHE . 6.2 m-30 -108.83 142.92 38.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.629 -0.714 . . . . 0.35 110.094 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.406 ' CB ' ' HB ' ' A' ' 41' ' ' THR . 0.2 OUTLIER -101.42 120.25 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.814 0.34 . . . . 0.35 110.88 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 18.4 t -98.93 120.05 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.35 111.243 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -118.12 111.84 19.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.065 -0.516 . . . . 0.35 110.448 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -97.16 119.13 35.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.287 -0.415 . . . . 0.35 111.007 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -101.91 147.34 26.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.35 110.997 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.63 -171.08 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.35 110.697 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -60.97 -68.32 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.35 111.025 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.06 -26.82 5.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.35 111.376 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -79.12 164.69 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.831 0.348 . . . . 0.35 111.08 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -141.71 131.6 24.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.35 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.409 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 6.9 mt -136.3 157.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.35 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.41 160.58 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.35 110.821 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.543 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 2.8 m -162.09 107.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.002 0.371 . . . . 0.35 112.002 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.438 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 0.9 OUTLIER -64.2 147.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 108.747 -0.834 . . . . 0.35 108.747 178.178 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.65 ' CE2' ' CZ ' ' A' ' 68' ' ' PHE . 24.5 m-85 -143.81 165.41 27.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.673 0.749 . . . . 0.35 112.371 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 3.4 tt0 -149.76 134.48 17.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.572 -1.194 . . . . 0.35 110.211 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 23.3 mt -59.22 105.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.956 -0.565 . . . . 0.35 110.575 -179.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.65 22.42 7.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.923 -0.656 . . . . 0.35 111.816 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 61.8 t -132.97 147.34 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.35 110.456 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.601 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -62.21 145.41 53.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.552 -0.749 . . . . 0.35 112.474 -178.335 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.654 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.97 162.51 21.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.114 -0.948 . . . . 0.35 109.182 178.716 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 78.1 m-20 -142.39 141.83 32.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.013 0.435 . . . . 0.35 111.727 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.426 ' CD2' ' O ' ' A' ' 69' ' ' ASN . 0.5 OUTLIER -174.75 58.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.715 -0.675 . . . . 0.35 110.295 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 43.1 t-20 -114.1 129.86 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.839 -0.619 . . . . 0.35 110.873 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -177.89 179.94 0.82 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.2 -0.455 . . . . 0.35 111.237 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.72 -166.08 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.581 -0.736 . . . . 0.35 111.126 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.64 -64.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.35 110.132 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 158.63 76.18 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.748 -0.739 . . . . 0.35 112.855 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 3.4 t -168.15 136.39 2.29 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.682 0.753 . . . . 0.35 112.137 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 32.7 mt-10 -161.6 54.75 0.26 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.266 -1.334 . . . . 0.35 108.54 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.586 ' HB3' ' HB3' ' A' ' 93' ' ' PHE . 0.4 OUTLIER -97.14 128.52 44.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.423 -0.808 . . . . 0.35 112.714 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 5.9 ttm180 -132.99 118.45 18.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.3 -0.864 . . . . 0.35 110.515 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.601 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.5 -119.36 1.53 Allowed Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.385 -0.912 . . . . 0.35 112.578 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.2 p -158.14 176.11 12.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.946 0.403 . . . . 0.35 111.133 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -143.91 127.84 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.129 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.49 150.07 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.981 0.419 . . . . 0.35 111.432 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -127.35 129.31 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.35 110.631 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -129.82 94.45 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.856 -0.611 . . . . 0.35 110.72 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.52 -106.41 1.61 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.653 -0.784 . . . . 0.35 112.344 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -109.12 21.04 17.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.713 0.292 . . . . 0.35 111.172 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -137.48 138.59 39.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.863 0.364 . . . . 0.35 111.007 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.438 HD13 ' CZ ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -117.71 146.2 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.35 110.586 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 90' ' ' ILE . 1.6 mp -128.0 95.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.35 111.811 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . . . . . . . . . . . -85.9 163.32 36.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.012 -0.613 . . . . 0.35 111.746 179.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.546 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -153.35 155.84 37.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.109 0.481 . . . . 0.35 111.844 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.654 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 53.0 m-85 -141.9 171.67 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.603 -0.726 . . . . 0.35 109.935 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.518 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -154.91 130.44 9.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.35 110.084 177.63 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.502 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 4.7 mtp85 -78.19 153.0 32.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.051 0.453 . . . . 0.35 110.899 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.69 -23.67 45.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.489 -0.778 . . . . 0.35 111.327 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -47.44 -35.8 9.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.275 -0.421 . . . . 0.35 111.068 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 178.15 40.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.35 110.472 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.408 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.24 63.02 4.28 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.111 -0.566 . . . . 0.35 112.525 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.518 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 40.0 m-20 -74.98 138.29 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.892 -0.41 . . . . 0.35 109.892 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 132.41 41.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.434 0.635 . . . . 0.35 111.787 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.52 ' HA ' ' O ' ' A' ' 118' ' ' VAL . 5.3 tt -138.52 111.65 7.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.899 -1.046 . . . . 0.35 110.165 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.546 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 12.4 m-20 -108.2 144.56 35.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.194 0.521 . . . . 0.35 111.886 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.506 ' CG2' ' CD2' ' A' ' 117' ' ' TYR . 88.9 m -146.92 128.04 14.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.663 -0.699 . . . . 0.35 110.934 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.05 122.45 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.35 111.326 -179.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.536 ' HB3' ' HG3' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -115.51 116.33 27.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.35 110.882 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -124.53 131.52 53.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.35 110.391 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.416 HD12 ' CZ ' ' A' ' 2' ' ' PHE . 9.9 mm -61.3 85.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.35 111.246 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.1 tp -77.49 116.51 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.601 -0.518 . . . . 0.35 109.601 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.55 -126.21 27.78 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.791 -1.195 . . . . 0.35 111.538 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.33 13.79 28.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.903 0.383 . . . . 0.35 110.355 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 23.7 mt-10 -131.64 176.18 8.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.35 111.054 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.65 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 6.7 tp -118.9 128.92 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.35 110.372 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.411 HG13 ' HB ' ' A' ' 109' ' ' ILE . 7.3 p -103.93 106.76 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.598 -0.519 . . . . 0.35 109.598 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.536 ' HG3' ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -104.33 105.93 16.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.35 111.648 -178.745 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 37.1 m -102.86 110.97 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.35 110.186 179.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.513 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 3.2 m-85 -102.86 156.69 17.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.143 -0.688 . . . . 0.35 109.143 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.52 ' O ' ' HA ' ' A' ' 102' ' ' LEU . 7.9 p -150.5 140.28 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 121.043 -0.263 . . . . 0.35 110.941 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.472 ' HB2' ' CD1' ' A' ' 102' ' ' LEU . 7.1 t80 -155.9 118.02 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.35 110.468 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 119' ' ' TYR . 5.5 mp0 26.51 88.65 0.01 OUTLIER 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 115.905 -0.588 . . . . 0.35 112.323 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.61 -3.44 6.3 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.874 -0.679 . . . . 0.35 114.086 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.615 HG13 ' CD1' ' A' ' 17' ' ' PHE . 6.0 t -108.4 145.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.194 0.497 . . . . 0.35 111.435 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.47 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 5.8 tt0 -156.21 120.79 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.35 110.527 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.449 ' HA ' ' CB ' ' A' ' 13' ' ' ASN . . . -119.81 136.32 54.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.157 0.503 . . . . 0.35 111.181 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.24 128.86 55.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.606 -0.724 . . . . 0.35 109.093 179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.412 ' NH1' ' NE2' ' A' ' 115' ' ' GLN . 5.9 ttt-85 -121.6 114.74 21.61 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.497 0.555 . . . . 0.35 112.497 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' ' 127' ' ' ILE . 1.3 mp -81.09 139.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.26 -1.015 . . . . 0.35 108.26 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.839 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 40.5 t80 -124.1 153.92 40.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.505 0.928 . . . . 0.35 113.505 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.52 ' HG2' ' HB2' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -144.57 156.04 43.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.737 -1.119 . . . . 0.35 109.167 177.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -108.72 152.12 25.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.161 0.505 . . . . 0.35 112.01 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.202 -0.904 . . . . 0.35 110.892 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' KTR . . . . . 0.494 ' H7 ' ' CE2' ' A' ' 117' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.83 0.348 . . . . 0.35 111.06 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.455 ' CE1' ' CD2' ' A' ' 89' ' ' LEU . 2.5 m-85 -74.47 -49.88 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.35 110.884 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 109.81 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.35 110.791 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.71 179.73 0.12 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.35 111.481 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -88.38 121.38 30.7 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.412 -0.959 . . . . 0.35 108.412 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.838 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 18.5 m0 -113.21 126.63 55.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.718 0.771 . . . . 0.35 112.445 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.546 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -121.3 114.45 21.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.654 -1.157 . . . . 0.35 109.977 178.429 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.433 HG12 ' HA ' ' A' ' 33' ' ' HIS . 1.9 p -68.49 134.25 30.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.253 -0.885 . . . . 0.35 111.351 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -88.99 -69.35 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.35 111.036 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.446 ' CG ' ' HB ' ' A' ' 127' ' ' ILE . 9.8 ptt180 -123.05 168.86 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.35 110.607 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.48 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 10.4 p -142.53 163.1 33.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.35 111.313 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.03 127.57 28.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.35 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 8.6 m-20 59.2 16.24 4.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.12 0.486 . . . . 0.35 111.136 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 3.7 t80 -56.37 -40.79 75.12 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.159 -0.682 . . . . 0.35 109.159 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -61.38 -32.78 72.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.588 -0.733 . . . . 0.35 109.524 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HG2' ' CG1' ' A' ' 122' ' ' VAL . 0.9 OUTLIER -48.32 -43.14 32.94 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.315 -0.857 . . . . 0.35 110.525 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.667 ' CD1' HG13 ' A' ' 122' ' ' VAL . 2.2 m-30 -70.41 -38.82 74.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.35 110.154 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.566 ' CG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -53.77 -32.71 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.589 -0.278 . . . . 0.35 110.957 178.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -87.65 -60.31 2.01 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.059 0.392 . . . . 0.35 112.059 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.485 ' HB2' ' CG2' ' A' ' 122' ' ' VAL . 0.4 OUTLIER -63.38 -20.58 65.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.484 -0.325 . . . . 0.35 111.318 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.58 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.6 ttp -106.58 -9.64 16.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.274 . . . . 0.35 111.203 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.37 51.56 58.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.411 -0.9 . . . . 0.35 111.612 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.452 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.6 t -90.43 123.92 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.35 110.989 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -56.39 148.49 18.89 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.077 -0.51 . . . . 0.35 111.377 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 6.1 tp -77.59 -31.03 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.35 111.105 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.76 -47.4 62.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.35 111.336 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.61 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.35 110.554 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.566 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.2 tmm_? -72.7 -25.12 61.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.35 111.273 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.35 -42.51 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.35 111.301 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -108.15 -12.65 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.35 111.167 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -93.22 -15.98 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.025 0.38 . . . . 0.35 112.025 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.542 ' O ' ' HB3' ' A' ' 33' ' ' HIS . . . -56.97 -48.36 78.56 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.101 0.408 . . . . 0.35 112.101 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.542 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 13.8 p-80 168.67 -38.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.832 0.349 . . . . 0.35 111.662 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.456 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 16.1 m-20 -54.52 -58.23 8.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.483 . . . . 0.35 112.042 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -115.63 31.65 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 0.35 111.526 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 tp -84.84 116.37 23.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.925 0.393 . . . . 0.35 110.885 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.486 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.1 tppp? -108.84 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.325 0.583 . . . . 0.35 110.187 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.701 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.6 tp -114.96 129.05 56.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.113 -0.949 . . . . 0.35 108.841 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 80.5 m -120.69 153.98 36.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.089 0.471 . . . . 0.35 111.942 -178.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 HD12 ' CD2' ' A' ' 6' ' ' TRP . 65.4 mt -129.18 133.51 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.529 -0.76 . . . . 0.35 111.248 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' A' ' 48' ' ' THR . 3.3 m -128.49 159.32 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.35 110.562 179.474 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.1 134.59 54.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.03 0.443 . . . . 0.35 111.588 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -168.51 89.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.704 -0.68 . . . . 0.35 110.145 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.84 -136.25 51.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.559 -0.829 . . . . 0.35 111.657 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.91 14.26 7.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.276 0.538 . . . . 0.35 110.627 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.528 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -129.78 139.9 51.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.132 0.491 . . . . 0.35 111.28 -179.682 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PHE . 8.6 m-30 -110.83 173.23 6.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.634 . . . . 0.35 109.781 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.405 ' HB ' ' HB ' ' A' ' 41' ' ' THR . 2.5 m -126.47 120.0 28.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.571 0.225 . . . . 0.35 110.412 179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.478 ' CG2' ' CD2' ' A' ' 62' ' ' PHE . 4.6 t -94.75 111.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.35 110.923 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -108.23 111.8 23.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.35 110.354 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.486 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -102.93 150.49 23.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.35 110.992 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -139.91 152.98 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.35 111.04 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -149.53 -171.06 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.35 110.594 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.96 -68.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.35 111.026 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -117.75 -26.7 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.35 111.265 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.1 170.23 16.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.35 111.113 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -141.7 146.02 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.35 110.89 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 mt -150.48 154.99 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.35 110.916 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.95 171.42 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.35 110.944 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.434 HG12 ' CZ ' ' A' ' 68' ' ' PHE . 9.7 p -179.59 139.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.35 111.565 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -75.34 161.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.35 110.409 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -136.16 150.37 49.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.35 110.648 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 36.1 tt0 -148.94 119.51 7.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.35 110.755 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 21.0 mt -60.45 114.14 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.35 110.811 -179.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.62 24.6 17.7 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.597 -0.811 . . . . 0.35 111.888 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.404 ' HB ' ' HB3' ' A' ' 63' ' ' GLU . 21.7 t -135.95 160.57 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 0.35 110.495 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.615 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -79.51 141.85 36.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.809 -0.632 . . . . 0.35 112.023 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.5 OUTLIER -81.74 154.16 26.15 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.102 -0.703 . . . . 0.35 109.102 178.915 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -125.59 132.12 52.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.188 0.518 . . . . 0.35 112.255 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' CZ ' ' O1 ' ' A' ' 201' ' ' KTR . 0.4 OUTLIER -157.98 42.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.47 -0.786 . . . . 0.35 110.129 179.051 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.4 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -45.1 -87.64 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.721 -0.672 . . . . 0.35 111.73 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 6.0 tp 53.74 87.2 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.761 0.315 . . . . 0.35 110.685 -179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.71 -40.49 9.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.35 111.521 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.55 36.89 2.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.35 110.79 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.62 -74.62 0.21 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.693 -0.765 . . . . 0.35 112.629 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.436 HG22 ' N ' ' A' ' 77' ' ' GLU . 13.2 t -160.6 -44.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.29 . . . . 0.35 111.564 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.436 ' N ' HG22 ' A' ' 76' ' ' THR . 1.7 mt-10 69.64 85.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.379 -0.373 . . . . 0.35 110.768 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.549 ' HB3' ' CD1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -132.1 131.11 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.35 110.955 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -131.16 117.88 19.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.909 -0.587 . . . . 0.35 111.236 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.615 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -140.95 -117.29 1.36 Allowed Glycine 0 C--O 1.228 -0.254 0 C-N-CA 120.289 -0.958 . . . . 0.35 112.891 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.531 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 16.4 p -157.74 175.62 13.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.068 0.461 . . . . 0.35 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.565 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 10.1 t90 -156.73 126.82 6.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.816 -0.629 . . . . 0.35 109.584 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.57 149.32 35.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.35 111.326 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -101.37 132.18 47.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.35 110.669 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -123.49 97.45 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.029 -0.532 . . . . 0.35 110.922 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.16 -108.57 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.673 -0.775 . . . . 0.35 112.426 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.81 20.81 18.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.35 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -138.49 158.1 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.476 -0.329 . . . . 0.35 110.82 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.455 ' CD2' ' CE1' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -126.87 138.86 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.35 110.752 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.431 ' O ' ' HA ' ' A' ' 82' ' ' TRP . 0.7 OUTLIER -114.21 138.15 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.086 0.469 . . . . 0.35 111.559 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.465 ' O ' ' HD3' ' A' ' 92' ' ' LYS . . . -124.67 148.68 16.81 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.467 -0.788 . . . . 0.35 111.212 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.535 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -145.26 156.25 43.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.067 0.461 . . . . 0.35 111.442 -178.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.709 ' CZ ' ' CD2' ' A' ' 68' ' ' PHE . 48.2 m-85 -141.85 171.84 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.35 110.353 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.51 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -156.79 130.06 7.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.328 -0.851 . . . . 0.35 109.884 177.583 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.593 ' HG3' ' OH ' ' A' ' 119' ' ' TYR . 7.0 mmt85 -76.95 147.81 36.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.958 -0.565 . . . . 0.35 111.232 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.21 -22.43 59.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.35 111.566 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -50.0 -40.31 44.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.834 0.349 . . . . 0.35 111.185 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -178.12 40.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.35 110.594 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.423 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 51.6 64.99 3.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.089 -0.577 . . . . 0.35 112.75 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.51 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 32.5 m120 -78.35 140.8 38.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.821 -0.437 . . . . 0.35 109.821 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.95 127.14 31.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.035 0.754 . . . . 0.35 113.035 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.478 ' HG ' ' HB2' ' A' ' 119' ' ' TYR . 0.9 OUTLIER -138.38 111.39 7.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.363 -1.29 . . . . 0.35 109.685 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.535 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 2.6 m-80 -107.48 152.66 23.92 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.214 0.53 . . . . 0.35 112.18 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.513 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.79 117.93 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.42 -0.809 . . . . 0.35 110.857 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.24 129.69 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.35 110.928 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -132.25 116.5 17.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.382 -0.372 . . . . 0.35 111.183 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -111.26 154.71 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.35 110.457 179.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.475 HD12 ' CD2' ' A' ' 113' ' ' LEU . 7.4 mm -82.39 87.73 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.35 111.528 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.5 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.4 tp -79.67 117.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.594 -0.521 . . . . 0.35 109.594 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.31 -123.79 16.12 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.942 -1.123 . . . . 0.35 111.849 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -102.24 15.63 28.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.968 0.413 . . . . 0.35 110.372 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.431 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 61.0 mt-10 -132.93 177.97 7.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.922 -0.581 . . . . 0.35 110.374 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.564 ' HG ' ' CZ3' ' A' ' 6' ' ' TRP . 1.7 mm? -119.73 130.1 54.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.067 0.46 . . . . 0.35 111.627 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.9 p -108.87 107.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.35 109.612 178.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.483 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.2 mp0 -96.87 140.52 31.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.142 0.496 . . . . 0.35 112.052 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.22 114.36 13.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.402 -0.817 . . . . 0.35 109.665 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.513 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 2.2 m-85 -113.06 150.82 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.406 . . . . 0.35 110.369 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.425 HG11 ' HB2' ' A' ' 103' ' ' ASN . 6.3 p -146.61 142.09 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.909 0.385 . . . . 0.35 111.256 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.593 ' OH ' ' HG3' ' A' ' 95' ' ' ARG . 55.2 t80 -155.72 109.73 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.104 -0.498 . . . . 0.35 110.239 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CG ' ' CE2' ' A' ' 119' ' ' TYR . 1.8 pt-20 28.77 90.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.68 -0.691 . . . . 0.35 112.026 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 83.23 -52.25 4.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.634 -0.793 . . . . 0.35 113.996 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.667 HG13 ' CD1' ' A' ' 17' ' ' PHE . 42.4 t -77.83 133.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.375 0.607 . . . . 0.35 112.562 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 117' ' ' TYR . 2.1 tt0 -138.65 116.96 11.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.257 -0.883 . . . . 0.35 109.12 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.496 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -120.13 137.3 54.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.078 0.466 . . . . 0.35 111.822 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.49 164.71 11.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.623 -0.717 . . . . 0.35 109.173 179.459 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.483 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 0.2 OUTLIER -154.63 119.02 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.223 -0.591 . . . . 0.35 112.571 -178.9 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.446 ' HB ' ' CG ' ' A' ' 10' ' ' ARG . 2.4 mp -83.73 132.25 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 108.569 -0.9 . . . . 0.35 108.569 177.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.838 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 48.6 t80 -114.3 154.0 28.76 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.055 0.761 . . . . 0.35 113.055 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 85.9 mttt -143.25 162.41 35.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.769 -1.105 . . . . 0.35 109.076 178.162 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -107.57 151.1 26.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.107 0.479 . . . . 0.35 111.7 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.23 -0.89 . . . . 0.35 110.966 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' KTR . . . . . 0.414 ' O1 ' ' CZ ' ' A' ' 70' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.872 0.367 . . . . 0.35 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.439 ' CE1' HD11 ' A' ' 89' ' ' LEU . 2.8 m-85 -89.51 -54.68 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.35 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -51.13 106.24 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.35 110.734 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.71 -177.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.35 111.389 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.9 m -88.85 123.31 33.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.226 -0.657 . . . . 0.35 109.226 178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.851 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 10.9 m0 -117.12 126.92 53.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.35 111.804 -178.448 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.492 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 28.0 pttt -120.7 116.06 24.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.022 -0.99 . . . . 0.35 109.887 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.418 ' CG2' ' NE ' ' A' ' 126' ' ' ARG . 5.2 p -64.05 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.399 -0.819 . . . . 0.35 111.914 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.91 -52.43 4.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.089 -0.505 . . . . 0.35 110.384 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.432 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 4.9 ptt180 -145.67 171.71 14.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.35 110.798 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 p -144.11 166.22 25.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.35 111.248 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -145.09 126.29 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 0.35 110.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 5.4 m-20 61.61 15.81 7.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.35 111.166 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.511 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -56.95 -43.19 81.31 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.464 -0.569 . . . . 0.35 109.464 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.25 -32.77 66.91 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.393 -0.595 . . . . 0.35 109.393 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' CG ' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -51.44 -38.74 55.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.254 -0.885 . . . . 0.35 110.539 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.669 ' CD1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-85 -77.48 -23.97 50.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.35 111.206 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.53 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 18.3 mmt -75.58 -27.87 58.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.494 -0.321 . . . . 0.35 110.63 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.18 -60.4 1.99 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.601 0.593 . . . . 0.35 112.601 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.49 ' HG2' HG23 ' A' ' 122' ' ' VAL . 2.1 tptp -58.75 -47.25 85.32 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.672 0.249 . . . . 0.35 111.672 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.3 mtm -74.08 -32.44 63.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.672 0.272 . . . . 0.35 110.958 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.09 45.81 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.487 -0.863 . . . . 0.35 112.204 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 14.3 t -87.44 111.05 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.35 110.511 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.35 111.484 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.417 ' HA ' ' HB3' ' A' ' 28' ' ' ARG . 1.8 tt -42.98 -39.42 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.686 -0.688 . . . . 0.35 111.354 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -47.88 -53.12 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.422 . . . . 0.35 110.829 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -79.86 -30.27 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.35 110.197 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.478 ' C ' ' CD ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -62.81 -33.46 75.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.35 110.231 179.562 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -46.17 -43.82 15.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.437 -0.347 . . . . 0.35 111.578 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.7 mt -92.23 -12.98 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.46 -0.336 . . . . 0.35 111.128 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.511 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -92.89 -22.33 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.35 111.849 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 33' ' ' HIS . . . -55.14 -48.27 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.095 0.405 . . . . 0.35 112.095 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.447 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.73 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.35 111.718 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -48.55 -58.24 4.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.35 111.678 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -106.63 46.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.35 110.998 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.1 tt -111.5 117.14 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.35 111.585 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.509 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.4 OUTLIER -119.6 116.72 26.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.772 -0.649 . . . . 0.35 109.55 178.795 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.752 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.4 tp -105.98 134.53 48.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.922 -0.769 . . . . 0.35 108.922 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.411 ' HB ' ' CB ' ' A' ' 50' ' ' LYS . 69.4 m -125.94 151.38 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.133 0.492 . . . . 0.35 112.045 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.424 HG12 ' CD1' ' A' ' 6' ' ' TRP . 1.8 mm -127.35 133.04 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.459 -0.791 . . . . 0.35 110.87 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.408 ' HB ' ' CB ' ' A' ' 48' ' ' THR . 3.1 m -127.02 154.23 44.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.35 110.771 179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -99.77 137.67 37.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.35 111.202 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.37 92.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.35 110.46 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.04 -127.12 24.12 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 120.641 -0.79 . . . . 0.35 112.046 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.27 21.1 7.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.251 0.525 . . . . 0.35 109.973 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -131.38 167.41 19.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.35 111.08 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 -133.44 169.57 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.35 111.022 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.508 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -125.22 124.16 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.527 . . . . 0.35 110.524 179.528 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.6 t -94.7 118.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.35 111.025 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.411 ' CB ' ' HB ' ' A' ' 39' ' ' THR . 7.0 mttt -118.93 112.47 19.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.35 110.412 179.6 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.509 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -100.07 148.9 24.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.93 0.395 . . . . 0.35 111.035 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -138.01 141.69 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.35 110.82 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.7 m -149.4 -173.76 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.35 110.743 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.64 -13.09 18.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.35 111.501 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -108.57 -26.81 10.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.35 111.29 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 7.0 ptt-85 -164.52 -171.01 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.35 111.108 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -141.93 133.48 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.35 111.03 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 1.5 mt -116.48 162.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.35 110.6 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.421 ' HG2' ' N ' ' A' ' 60' ' ' VAL . 21.1 tt0 -171.21 148.9 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.35 111.037 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.505 ' CG2' ' CZ ' ' A' ' 62' ' ' PHE . 8.4 p -165.65 125.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.35 111.464 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.508 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 10.8 p -86.4 151.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.863 -0.421 . . . . 0.35 109.863 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 40.5 m-85 -149.69 167.23 27.02 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.09 0.472 . . . . 0.35 112.037 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 11.3 tt0 -133.83 139.11 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.333 -0.849 . . . . 0.35 111.004 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.413 ' CD2' HD12 ' A' ' 84' ' ' LEU . 15.2 mt -59.94 111.26 1.41 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.612 . . . . 0.35 110.507 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.87 23.45 15.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.432 -0.89 . . . . 0.35 111.892 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.425 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 87.5 t -131.44 142.06 44.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.25 0.548 . . . . 0.35 110.397 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.603 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -54.83 142.16 30.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.189 -0.914 . . . . 0.35 112.469 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -82.49 163.16 21.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.35 108.954 178.515 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -142.39 139.51 31.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.35 111.986 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.428 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -173.76 88.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.539 -0.755 . . . . 0.35 110.268 179.501 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 26.8 p-10 -149.97 134.78 17.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.88 0.371 . . . . 0.35 111.373 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 174.16 170.55 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.977 -0.556 . . . . 0.35 110.532 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.24 -47.96 35.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.032 0.444 . . . . 0.35 110.752 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.73 87.62 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.35 109.834 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.19 -19.08 0.1 Allowed Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.332 -0.707 . . . . 0.35 111.332 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.1 m 61.64 143.7 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 120.896 0.379 . . . . 0.35 111.119 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.13 137.11 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.35 111.914 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.524 ' HB3' ' CG ' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -160.86 112.73 1.89 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.625 -0.716 . . . . 0.35 109.494 179.294 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 7.9 ttp180 -124.77 121.01 33.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.35 111.246 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.603 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.42 -121.28 1.48 Allowed Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.35 112.049 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' LYS . 11.2 p -158.2 174.66 14.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.936 0.398 . . . . 0.35 110.805 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.494 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 6.1 t90 -147.01 127.43 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.35 110.411 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.5 m -138.63 122.72 17.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.239 -0.437 . . . . 0.35 110.812 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' A' ' 82' ' ' TRP . 0.2 OUTLIER -100.68 131.42 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.35 110.759 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -123.12 94.45 4.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 0.35 110.777 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.47 -104.2 1.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.35 112.398 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.08 21.48 17.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.601 0.239 . . . . 0.35 111.24 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -133.89 137.07 44.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.35 111.183 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.439 HD11 ' CE1' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -116.85 125.59 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.35 110.558 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 mp -115.41 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 0.35 111.522 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.476 ' O ' ' HD3' ' A' ' 92' ' ' LYS . . . -98.4 162.7 20.74 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.778 -0.646 . . . . 0.35 111.926 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.493 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -152.29 157.47 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.012 0.434 . . . . 0.35 111.384 -179.213 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.595 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 39.5 m-85 -143.49 172.02 13.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.769 -0.65 . . . . 0.35 109.979 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.523 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -151.68 131.09 12.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.35 109.755 177.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.423 ' HG3' ' CE2' ' A' ' 119' ' ' TYR . 17.1 mtp180 -72.86 128.4 35.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.35 110.869 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -20.07 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.402 -0.817 . . . . 0.35 111.332 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -47.39 -27.09 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.992 0.425 . . . . 0.35 110.999 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 179.17 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.35 110.234 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.446 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 133.27 62.02 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.633 -0.712 . . . . 0.35 111.718 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.523 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.2 m-80 -78.25 143.18 37.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.35 110.319 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.421 ' O ' ' CD2' ' A' ' 119' ' ' TYR . 0.3 OUTLIER -78.34 129.47 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.757 0.789 . . . . 0.35 112.544 -178.433 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.635 ' CD2' ' HB2' ' A' ' 119' ' ' TYR . 1.7 tm? -134.36 118.84 17.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.794 -1.548 . . . . 0.35 108.865 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.493 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 1.2 m120 -113.7 147.47 38.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.35 112.199 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.536 ' HB ' ' CE2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -147.02 117.34 7.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 0.35 110.68 178.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.36 120.72 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.35 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -115.94 127.16 54.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.35 111.223 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.2 146.18 52.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.35 110.667 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.405 ' CD1' ' CD1' ' A' ' 113' ' ' LEU . 7.2 mm -83.78 84.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.35 111.191 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.478 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 6.6 tp -79.69 119.28 28.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.486 -0.561 . . . . 0.35 109.486 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.81 -123.87 18.17 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.734 -1.222 . . . . 0.35 111.541 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -100.62 11.22 39.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.977 0.418 . . . . 0.35 110.275 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.473 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 26.9 mt-10 -128.16 177.16 7.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.35 110.735 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.474 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -119.64 129.9 54.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.35 111.14 179.396 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.41 HG12 ' HB ' ' A' ' 109' ' ' ILE . 6.7 p -103.36 108.03 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.612 . . . . 0.35 109.588 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.498 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.8 mt-30 -107.17 119.26 38.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.35 112.029 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -117.04 117.65 30.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.633 -0.712 . . . . 0.35 110.023 179.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.536 ' CE2' ' HB ' ' A' ' 104' ' ' THR . 1.8 m-85 -113.52 156.51 23.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.35 110.236 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.497 ' HB ' ' HG3' ' A' ' 123' ' ' GLU . 15.0 p -151.31 136.48 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.831 0.348 . . . . 0.35 111.012 178.166 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.635 ' HB2' ' CD2' ' A' ' 102' ' ' LEU . 5.6 t80 -152.43 120.04 6.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.35 110.774 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' TYR . 1.2 mm-40 24.54 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.595 -0.729 . . . . 0.35 112.083 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.44 -4.34 9.25 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.876 -0.678 . . . . 0.35 114.041 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.669 HG12 ' CD1' ' A' ' 17' ' ' PHE . 16.1 t -107.49 144.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.113 0.456 . . . . 0.35 111.559 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.497 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.1 tt0 -155.6 113.92 3.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.177 -0.465 . . . . 0.35 110.069 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.433 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.42 139.0 53.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 0.35 111.759 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.63 161.07 15.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.679 -0.86 . . . . 0.35 108.679 178.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.498 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 11.0 ttt-85 -158.01 114.57 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.898 -0.721 . . . . 0.35 112.81 -178.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.432 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 5.1 mm -81.33 149.38 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 108.474 -0.936 . . . . 0.35 108.474 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.851 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 43.9 t80 -131.07 154.44 48.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.46 0.911 . . . . 0.35 113.46 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 3.8 pttp -144.0 157.59 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.919 -1.037 . . . . 0.35 109.184 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -107.84 151.16 26.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.215 0.531 . . . . 0.35 111.834 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.968 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' KTR . . . . . 0.511 ' H2 ' ' CE1' ' A' ' 14' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.753 0.311 . . . . 0.35 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.46 ' CZ ' HD21 ' A' ' 89' ' ' LEU . 5.0 m-85 -88.23 -46.84 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.35 111.003 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -58.13 111.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.35 110.533 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.83 -172.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.341 -0.391 . . . . 0.35 110.811 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 56.3 m -89.28 120.14 30.38 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.672 -0.492 . . . . 0.35 109.672 178.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.839 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.4 m0 -116.92 125.07 50.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.35 111.26 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 129' ' ' LYS . 4.1 ptmt -120.99 115.44 23.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.22 -0.9 . . . . 0.35 110.839 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.1 p -60.95 129.71 24.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.22 -0.9 . . . . 0.35 111.3 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.405 ' HB2' ' CB ' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -84.92 -63.74 1.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.317 -0.401 . . . . 0.35 110.828 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.438 ' CG ' ' HB ' ' A' ' 127' ' ' ILE . 6.6 ptt180 -128.1 169.64 13.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.35 110.927 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.6 p -144.07 166.0 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.35 111.136 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.57 131.38 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.35 110.652 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.465 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 62.12 13.03 5.44 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.257 0.551 . . . . 0.35 111.253 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.47 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -55.7 -46.61 77.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.234 -0.654 . . . . 0.35 109.234 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 18' ' ' MET . 8.4 t0 -54.67 -31.71 58.17 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.73 -0.668 . . . . 0.35 109.849 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' CG ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -52.46 -40.75 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.586 -0.733 . . . . 0.35 110.223 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.653 ' CD1' HG12 ' A' ' 122' ' ' VAL . 2.0 m-85 -74.12 -24.55 59.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.508 -0.769 . . . . 0.35 110.709 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.658 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -71.05 -31.74 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.35 111.378 179.283 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.8 -60.55 1.95 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 113.234 0.828 . . . . 0.35 113.234 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.491 ' HG2' ' CD2' ' A' ' 119' ' ' TYR . 2.5 tptp -56.88 -47.5 80.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.35 112.107 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.407 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 4.1 mtp -81.92 -28.76 32.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.35 111.189 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.83 56.48 1.96 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.51 -0.852 . . . . 0.35 112.339 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.658 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 4.0 t -97.67 99.37 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.984 -0.376 . . . . 0.35 109.984 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -50.19 178.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.492 0.663 . . . . 0.35 112.219 -178.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -86.52 -32.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.991 -1.004 . . . . 0.35 111.242 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.421 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 21.7 t -44.26 -56.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.861 -0.609 . . . . 0.35 111.865 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -86.53 -29.09 22.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.35 111.051 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.553 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.3 tmm_? -73.49 -20.14 60.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 0.35 111.85 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ILE . 3.3 mttt -44.03 -48.65 8.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.35 111.473 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.409 ' CD1' ' CB ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -101.41 -31.87 10.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.35 110.659 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -70.46 -13.79 62.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.35 111.514 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 33' ' ' HIS . . . -55.07 -47.0 75.48 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.977 0.362 . . . . 0.35 111.977 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.37 -50.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.825 0.345 . . . . 0.35 111.464 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -55.13 29.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.499 . . . . 0.35 111.793 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -108.42 44.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.35 111.279 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 8.5 tt -103.82 118.64 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.35 110.913 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.5 OUTLIER -116.52 116.64 28.02 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.323 0.583 . . . . 0.35 110.068 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.812 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.2 tp -106.77 112.02 24.8 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.187 -0.915 . . . . 0.35 109.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.4 m -99.43 142.01 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.012 0.434 . . . . 0.35 111.817 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.428 HG13 ' CE2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.38 133.99 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.707 -0.679 . . . . 0.35 110.471 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.7 m -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.35 111.268 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -88.35 121.27 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.35 110.644 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.404 ' HB3' ' HG2' ' A' ' 46' ' ' LYS . 5.2 tt0 -140.23 41.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.298 0.57 . . . . 0.35 111.107 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.08 -125.23 6.83 Favored Glycine 0 C--N 1.314 -0.666 0 CA-C-N 115.389 -0.823 . . . . 0.35 112.399 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -78.88 1.27 24.08 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 117.212 0.506 . . . . 0.35 110.812 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.548 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.2 OUTLIER -130.28 155.64 45.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.405 0.621 . . . . 0.35 111.625 -179.777 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.552 ' HB2' ' CE1' ' A' ' 62' ' ' PHE . 43.5 m-85 -111.4 133.8 53.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.045 -0.979 . . . . 0.35 111.673 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -87.94 119.88 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.35 110.413 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.519 HG23 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -108.63 124.97 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.442 . . . . 0.35 111.046 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -122.55 116.07 23.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.35 110.604 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.428 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.1 tt0 -86.23 117.55 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.35 110.823 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.73 144.79 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.35 111.034 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.409 ' CB ' ' CD1' ' A' ' 30' ' ' LEU . 0.8 OUTLIER -149.86 -171.07 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.93 -0.577 . . . . 0.35 110.862 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -74.93 -59.51 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.35 110.977 179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -115.5 -26.83 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.35 111.253 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.58 149.81 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 0.35 110.973 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -141.89 136.75 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.35 111.071 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.428 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 2.4 mp -139.7 160.82 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.35 110.685 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 63.3 tt0 -154.21 162.17 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.35 111.197 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.445 ' O ' HG22 ' A' ' 49' ' ' VAL . 12.4 p -178.36 165.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.897 -0.592 . . . . 0.35 110.791 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.436 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 12.3 p -136.97 146.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.35 110.46 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.552 ' CE1' ' HB2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -136.92 130.03 31.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.466 0.651 . . . . 0.35 111.214 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.548 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -106.24 138.73 41.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.98 -1.009 . . . . 0.35 111.065 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.47 102.0 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.919 -0.582 . . . . 0.35 110.326 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.19 15.29 18.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.915 -0.66 . . . . 0.35 112.121 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.401 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 39.9 t -132.78 144.41 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.157 0.504 . . . . 0.35 110.633 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.599 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.1 m -57.51 154.62 10.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.422 -0.808 . . . . 0.35 112.021 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.614 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.081 -0.963 . . . . 0.35 109.276 179.165 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -130.28 118.32 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.967 0.413 . . . . 0.35 111.912 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.415 ' CE1' ' O1 ' ' A' ' 201' ' ' KTR . 0.2 OUTLIER -139.19 48.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.35 110.302 179.066 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -84.15 127.05 33.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.702 -0.681 . . . . 0.35 111.031 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 98.0 mt -154.33 105.85 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.35 110.775 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.39 -28.22 41.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.35 111.223 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -59.35 -31.33 69.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.35 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.5 -74.22 0.13 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.756 -0.735 . . . . 0.35 112.487 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.8 t -158.98 -168.34 2.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 0.35 111.182 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -146.92 118.91 8.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.35 110.37 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.479 ' HB3' ' HB3' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -120.26 137.07 54.44 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.18 0.514 . . . . 0.35 111.446 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' LYS . 25.5 ttp85 -110.92 123.86 50.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.35 110.124 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.599 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -147.61 -157.03 7.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.271 -1.442 . . . . 0.35 114.55 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.467 ' O ' ' HA2' ' A' ' 91' ' ' GLY . 1.9 p -151.62 138.77 19.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.317 -0.441 . . . . 0.35 109.873 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.429 ' CZ3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -111.05 142.23 43.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.462 -0.335 . . . . 0.35 110.406 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.77 144.59 22.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 0.35 110.622 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.464 ' HG ' HD22 ' A' ' 89' ' ' LEU . 0.1 OUTLIER -110.59 127.58 55.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.084 0.469 . . . . 0.35 110.681 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.55 93.97 4.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.704 . . . . 0.35 110.235 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.13 -101.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.49 -0.862 . . . . 0.35 111.962 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -115.06 21.47 14.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.607 0.241 . . . . 0.35 111.094 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -125.08 147.25 49.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.019 0.438 . . . . 0.35 111.592 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.464 HD22 ' HG ' ' A' ' 84' ' ' LEU . 2.6 mm? -107.52 127.74 53.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.703 -0.68 . . . . 0.35 110.424 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -129.26 137.22 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.463 0.649 . . . . 0.35 112.466 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA2' ' O ' ' A' ' 81' ' ' THR . . . -142.4 153.12 24.26 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.383 -1.087 . . . . 0.35 110.383 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.588 ' O ' ' CA ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -146.75 117.31 7.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.618 0.709 . . . . 0.35 111.081 -179.298 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.614 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 96.7 m-85 -101.54 173.02 6.62 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.61 0.719 . . . . 0.35 112.283 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.731 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.4 mttt -158.05 131.59 7.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.771 -1.104 . . . . 0.35 110.355 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.418 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 2.1 mtp180 -73.63 141.74 46.52 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.183 0.516 . . . . 0.35 111.006 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -17.05 61.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.141 -0.936 . . . . 0.35 110.547 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -47.86 -57.92 5.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.141 -0.481 . . . . 0.35 111.219 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -155.55 24.54 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.506 -0.315 . . . . 0.35 111.434 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.541 ' C ' ' HE2' ' A' ' 94' ' ' LYS . . . 71.53 82.82 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.632 -0.794 . . . . 0.35 112.131 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.731 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 32.1 m120 -112.91 109.77 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.862 0.363 . . . . 0.35 110.267 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.573 ' HA ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -60.0 142.95 53.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.771 0.796 . . . . 0.35 111.918 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.577 ' CD1' ' HB2' ' A' ' 119' ' ' TYR . 6.1 tt -143.77 126.4 16.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.265 -1.334 . . . . 0.35 109.693 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.469 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 1.8 m-80 -109.73 150.97 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.35 111.378 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.444 HG21 ' O ' ' A' ' 91' ' ' GLY . 1.6 p -146.27 117.33 7.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.35 111.052 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 t -129.39 114.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.35 110.926 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.436 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 14.2 ptt180 -130.47 116.52 18.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.321 -0.4 . . . . 0.35 110.859 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -111.23 158.56 18.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.35 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.416 HD13 ' CZ ' ' A' ' 2' ' ' PHE . 8.3 mm -76.01 82.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.35 110.982 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.444 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 7.1 tp -76.24 121.05 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.749 -0.463 . . . . 0.35 109.749 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.8 -124.89 28.56 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.8 -1.191 . . . . 0.35 111.704 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.37 16.81 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.804 0.335 . . . . 0.35 110.497 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 14.3 mt-10 -138.42 178.37 7.19 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.245 -0.434 . . . . 0.35 110.922 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.608 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 2.0 tp -113.84 129.77 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.027 0.441 . . . . 0.35 110.949 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.9 p -108.43 108.06 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.35 109.68 179.047 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.476 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -100.93 140.85 34.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.26 0.553 . . . . 0.35 112.291 -178.409 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.7 111.45 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.297 -0.865 . . . . 0.35 109.504 178.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.505 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.1 m-85 -111.41 157.56 20.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.37 . . . . 0.35 110.303 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 103' ' ' ASN . 9.5 p -149.63 135.36 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-O 120.669 0.271 . . . . 0.35 111.088 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.577 ' HB2' ' CD1' ' A' ' 102' ' ' LEU . 39.9 t80 -145.86 116.69 7.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.35 110.58 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.4 OUTLIER 22.25 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.118 -0.492 . . . . 0.35 112.199 -179.646 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.19 -6.51 14.26 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.736 -0.745 . . . . 0.35 113.88 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.653 HG12 ' CD1' ' A' ' 17' ' ' PHE . 19.1 t -107.39 145.7 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.947 0.373 . . . . 0.35 111.219 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.468 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 5.1 tt0 -156.12 115.8 3.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.311 -0.404 . . . . 0.35 110.268 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.456 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.69 135.63 55.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.146 0.498 . . . . 0.35 111.653 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 135.88 49.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.899 -0.778 . . . . 0.35 108.899 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.476 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 3.1 ttp180 -131.27 115.53 16.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.566 0.58 . . . . 0.35 112.566 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.438 ' HB ' ' CG ' ' A' ' 10' ' ' ARG . 2.8 mp -82.59 134.66 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 108.912 -0.773 . . . . 0.35 108.912 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.839 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 35.7 t80 -107.65 148.83 28.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.952 0.723 . . . . 0.35 112.952 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 7' ' ' LYS . 13.3 tmtt? -142.15 158.73 43.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 114.858 -1.065 . . . . 0.35 108.863 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -107.97 148.91 29.05 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.327 0.584 . . . . 0.35 112.078 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.156 -0.929 . . . . 0.35 111.011 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' KTR . . . . . 0.546 ' H6 ' ' CE1' ' A' ' 93' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.781 0.324 . . . . 0.35 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.504 ' CE1' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -75.47 -51.93 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.35 110.778 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -55.41 104.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.35 111.176 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.71 -175.95 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.35 110.967 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.403 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 91.3 m -88.66 115.91 26.53 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.372 -0.603 . . . . 0.35 109.372 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.837 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 16.0 m0 -115.63 126.48 54.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.507 0.67 . . . . 0.35 111.74 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.499 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.1 ttpt -118.54 121.73 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.949 -1.023 . . . . 0.35 110.467 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.411 ' CG2' ' NE ' ' A' ' 126' ' ' ARG . 5.8 p -65.33 135.23 28.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 0.35 111.143 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.446 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 16.0 t70 -93.61 -71.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.35 111.15 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.521 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 3.9 ptp180 -118.86 165.8 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.35 110.63 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.5 p -140.91 156.82 46.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.35 111.294 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -136.24 123.99 22.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 0.35 110.413 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 62.57 14.12 6.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.187 0.518 . . . . 0.35 111.229 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -56.61 -49.82 73.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.077 -0.712 . . . . 0.35 109.077 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.421 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -49.98 -33.33 17.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.817 -0.629 . . . . 0.35 109.788 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.486 ' CB ' ' O ' ' A' ' 13' ' ' ASN . 0.3 OUTLIER -52.33 -41.4 62.96 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.254 -0.885 . . . . 0.35 110.532 179.335 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.629 ' CD1' HG11 ' A' ' 122' ' ' VAL . 2.3 m-85 -72.23 -25.19 61.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.398 -0.819 . . . . 0.35 111.179 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.509 ' HG2' ' CG ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -69.94 -30.08 67.37 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.512 -0.313 . . . . 0.35 111.03 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.28 -60.66 1.94 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.006 0.743 . . . . 0.35 113.006 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HG2' ' CD2' ' A' ' 119' ' ' TYR . 2.1 tptp -56.6 -47.41 79.65 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.112 -0.235 . . . . 0.35 111.327 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.451 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 5.9 mtm -65.25 -40.07 93.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.35 110.201 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.24 55.02 2.02 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.707 -0.759 . . . . 0.35 112.448 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.453 HG23 ' HG3' ' A' ' 18' ' ' MET . 16.4 m -96.37 156.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.35 110.714 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.459 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -81.17 -173.36 4.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.379 -0.373 . . . . 0.35 110.814 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.91 -38.9 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.35 111.305 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.32 -45.91 33.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.35 111.504 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -33.62 29.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.992 0.425 . . . . 0.35 110.3 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.509 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -65.12 -33.33 75.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.764 -0.653 . . . . 0.35 110.818 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -54.57 -42.46 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.35 111.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 mt -101.67 -14.75 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.35 111.142 -179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -93.74 -16.14 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.031 0.382 . . . . 0.35 112.031 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.49 ' O ' ' HB3' ' A' ' 33' ' ' HIS . . . -59.21 -49.35 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.35 112.199 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.49 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 13.6 p80 160.0 -44.61 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.963 0.411 . . . . 0.35 111.367 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.21 -57.76 8.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.35 111.866 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -111.32 66.73 0.63 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.793 0.33 . . . . 0.35 111.318 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.403 ' HB3' ' CG1' ' A' ' 8' ' ' VAL . 37.3 tp -128.57 126.58 40.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.35 111.115 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -118.21 117.34 28.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.451 0.643 . . . . 0.35 109.887 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.828 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -108.21 113.0 25.78 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.024 -0.989 . . . . 0.35 109.312 -179.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.4 m -105.8 153.86 21.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.499 . . . . 0.35 112.043 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.43 HD11 ' CE2' ' A' ' 6' ' ' TRP . 50.5 mt -131.89 137.41 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.485 -0.78 . . . . 0.35 110.59 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.401 ' HB ' ' CB ' ' A' ' 48' ' ' THR . 1.4 m -131.14 162.47 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.35 110.945 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -110.49 128.79 55.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.35 111.237 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -159.12 89.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.585 . . . . 0.35 110.402 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.84 -134.23 43.74 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.573 -0.822 . . . . 0.35 111.832 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -82.83 7.16 15.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.267 0.534 . . . . 0.35 110.771 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.579 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -123.29 152.12 41.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.503 0.668 . . . . 0.35 111.904 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.462 ' CZ ' HD11 ' A' ' 84' ' ' LEU . 40.9 m-85 -112.1 166.97 10.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.057 -0.974 . . . . 0.35 110.441 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.415 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.5 119.34 28.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 0.35 110.046 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.9 119.74 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.953 0.406 . . . . 0.35 111.664 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -117.3 111.48 19.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.35 110.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.444 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.1 mt-10 -104.32 127.28 51.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 0.35 111.281 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.3 150.91 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.35 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 m -149.51 -170.96 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.35 110.803 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -57.82 -74.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.35 111.137 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -122.48 15.06 10.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.35 111.405 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -114.4 162.89 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.35 110.958 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -134.27 134.05 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.35 110.911 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.425 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 3.9 mt -148.69 151.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.35 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -179.55 154.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.35 110.778 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.558 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 3.6 m -161.52 106.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.139 0.422 . . . . 0.35 112.139 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.419 ' O ' ' CD1' ' A' ' 62' ' ' PHE . 6.1 p -63.68 152.06 8.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.207 -0.664 . . . . 0.35 109.207 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.638 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 33.2 m-85 -147.29 165.35 30.37 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 112.575 0.583 . . . . 0.35 112.575 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.579 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 6.3 tt0 -139.05 150.87 46.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.117 -0.947 . . . . 0.35 110.717 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD23 ' HB2' ' A' ' 84' ' ' LEU . 28.6 mt -69.84 104.29 2.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.35 110.689 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.67 25.3 7.73 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.519 -0.848 . . . . 0.35 111.939 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.426 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 64.2 t -131.73 145.81 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.216 0.531 . . . . 0.35 110.606 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.68 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.6 m -56.54 162.22 2.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.285 -0.87 . . . . 0.35 112.394 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -101.86 159.99 14.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.089 -0.959 . . . . 0.35 109.454 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -144.21 146.31 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.98 0.419 . . . . 0.35 111.726 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.45 ' CD1' ' C11' ' A' ' 201' ' ' KTR . 0.2 OUTLIER -166.86 56.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.896 -0.593 . . . . 0.35 110.723 179.263 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -71.38 132.14 44.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.35 111.014 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 179.64 138.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.35 110.871 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.13 -70.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.35 110.973 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.22 70.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.35 110.54 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.406 ' O ' ' NH2' ' A' ' 95' ' ' ARG . . . 155.23 -21.73 0.57 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.027 -0.829 . . . . 0.35 111.027 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.446 ' HB ' ' NH2' ' A' ' 95' ' ' ARG . 99.0 m 63.27 141.72 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 121.173 0.511 . . . . 0.35 111.052 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -62.22 138.11 58.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.592 -0.731 . . . . 0.35 112.522 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.499 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -134.68 126.9 30.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.241 -0.89 . . . . 0.35 109.163 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 16.2 mtt180 -134.55 126.74 29.92 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.348 0.499 . . . . 0.35 112.348 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.68 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -143.75 -114.31 0.97 Allowed Glycine 0 C--O 1.226 -0.402 0 C-N-CA 120.952 -0.642 . . . . 0.35 111.86 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.431 HG23 ' HA ' ' A' ' 67' ' ' THR . 15.3 p -158.74 174.92 14.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.438 0.619 . . . . 0.35 111.461 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.597 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -147.91 135.67 20.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.534 -0.757 . . . . 0.35 109.51 179.403 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -152.81 149.34 28.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 0.35 111.63 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.462 HD11 ' CZ ' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -116.57 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.35 110.388 179.562 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.7 94.51 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.35 111.195 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 63.93 -107.49 1.8 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.766 . . . . 0.35 112.626 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -107.72 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.632 0.253 . . . . 0.35 111.457 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.66 132.74 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.35 110.718 179.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.53 ' CD1' ' N ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -114.29 142.93 45.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.35 110.672 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.04 137.02 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.336 0.589 . . . . 0.35 112.093 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.47 ' HA3' ' CD1' ' A' ' 82' ' ' TRP . . . -135.87 157.59 23.43 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.12 -0.946 . . . . 0.35 111.11 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.462 ' O ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -155.57 159.31 39.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.256 0.528 . . . . 0.35 111.846 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.59 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 92.5 m-85 -134.39 173.59 11.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.35 109.899 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.564 ' CB ' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.79 137.38 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.851 -0.613 . . . . 0.35 110.539 178.32 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.446 ' NH2' ' HB ' ' A' ' 76' ' ' THR . 0.0 OUTLIER -81.58 150.1 28.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.35 111.222 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -24.63 48.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.35 111.423 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -49.44 -37.03 24.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.385 -0.37 . . . . 0.35 111.14 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -178.48 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.35 110.605 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.417 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 50.61 63.66 4.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.085 -0.579 . . . . 0.35 112.742 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.559 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.5 m-80 -76.42 138.74 40.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.536 -0.542 . . . . 0.35 109.536 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.98 135.3 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.515 0.674 . . . . 0.35 112.551 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.476 ' HG ' ' HB2' ' A' ' 119' ' ' TYR . 1.6 tt -143.88 110.61 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.809 -1.087 . . . . 0.35 109.741 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.448 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 2.0 m120 -105.91 153.25 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.161 0.505 . . . . 0.35 111.817 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.488 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.65 116.72 7.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.404 -0.816 . . . . 0.35 110.554 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.12 120.15 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.35 110.803 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.6 mtt180 -115.75 116.21 27.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.35 110.974 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -114.64 135.67 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.35 110.409 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.409 HD13 ' CD2' ' A' ' 113' ' ' LEU . 6.6 mm -82.13 98.03 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.242 -0.435 . . . . 0.35 110.576 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.606 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 4.9 tp -90.84 55.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.925 0.869 . . . . 0.35 110.218 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.55 -127.13 8.21 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 120.145 -1.026 . . . . 0.35 111.153 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -79.17 -9.64 59.61 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.595 0.236 . . . . 0.35 110.563 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 112' ' ' GLU . 1.6 mp0 -111.69 165.5 11.98 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.794 0.331 . . . . 0.35 110.849 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.508 ' CB ' ' HB3' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -121.43 128.93 52.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.35 111.108 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.451 HG13 ' HB ' ' A' ' 109' ' ' ILE . 2.1 p -106.27 107.66 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 0.35 109.065 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.493 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 0.9 OUTLIER -105.69 140.66 38.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.35 112.432 -178.296 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.81 112.45 11.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.12 -0.945 . . . . 0.35 109.22 178.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.49 ' CD2' ' O3 ' ' A' ' 201' ' ' KTR . 1.4 m-85 -110.03 156.34 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.35 110.333 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.457 ' HB ' ' HG3' ' A' ' 123' ' ' GLU . 9.1 p -150.54 134.74 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.719 0.295 . . . . 0.35 111.174 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.496 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 33.2 t80 -147.75 115.54 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.35 110.564 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.6 OUTLIER 24.95 89.29 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.652 -0.704 . . . . 0.35 112.253 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.94 -8.02 13.25 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.746 -0.74 . . . . 0.35 113.89 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.629 HG11 ' CD1' ' A' ' 17' ' ' PHE . 15.2 t -107.3 143.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.972 0.386 . . . . 0.35 111.51 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 117' ' ' TYR . 3.1 tt0 -154.6 115.7 4.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.244 -0.434 . . . . 0.35 110.164 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.446 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -121.26 142.95 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.35 111.802 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -108.06 164.54 12.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.768 -0.827 . . . . 0.35 108.768 178.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.493 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 1.6 ttt180 -161.5 122.78 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.056 0.761 . . . . 0.35 113.056 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.521 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 3.3 mm -91.79 140.98 15.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.69 -0.856 . . . . 0.35 108.69 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.837 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 32.7 t80 -118.93 153.66 34.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.366 0.876 . . . . 0.35 113.366 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.457 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 0.7 OUTLIER -143.84 159.28 42.81 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 114.659 -1.155 . . . . 0.35 108.849 177.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -108.45 151.85 25.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 0.35 111.895 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.239 -0.886 . . . . 0.35 110.991 179.913 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' KTR . . . . . 0.53 ' C6 ' ' CE1' ' A' ' 93' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.895 0.379 . . . . 0.35 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.421 ' CE1' HD21 ' A' ' 89' ' ' LEU . 3.3 m-85 -89.43 -45.74 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.35 110.952 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.45 111.07 0.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.35 110.732 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.66 179.57 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.949 0.404 . . . . 0.35 111.02 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -88.67 124.0 33.66 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.9 -0.778 . . . . 0.35 108.9 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.867 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.3 m0 -115.51 127.05 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.35 111.952 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.513 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -118.9 117.04 27.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.911 -1.041 . . . . 0.35 109.628 177.95 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.4 HG22 ' NE ' ' A' ' 126' ' ' ARG . 3.6 p -68.57 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.348 -0.842 . . . . 0.35 111.606 -178.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.48 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 8.9 t70 -98.23 -75.12 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.35 111.098 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' CG ' HG12 ' A' ' 127' ' ' ILE . 0.6 OUTLIER -117.11 164.18 15.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.35 111.002 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.495 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 53.2 p -141.29 164.17 30.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.546 . . . . 0.35 110.947 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 127.38 13.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.536 . . . . 0.35 110.431 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.7 m-20 62.12 15.2 7.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.105 0.479 . . . . 0.35 111.061 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.474 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -55.35 -41.01 71.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.93 -0.766 . . . . 0.35 108.93 179.132 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -58.51 -35.3 72.05 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.26 -0.645 . . . . 0.35 109.26 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.552 ' CG ' HG11 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -47.49 -40.32 18.19 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.187 -0.915 . . . . 0.35 110.55 179.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.689 ' CD1' HG13 ' A' ' 122' ' ' VAL . 2.4 m-85 -76.77 -25.61 53.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.705 -0.68 . . . . 0.35 111.02 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.501 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 13.7 mmt -74.28 -29.75 61.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.35 111.535 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -87.2 -60.89 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.99 0.737 . . . . 0.35 112.99 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.518 ' HB2' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -53.42 -47.32 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.806 0.299 . . . . 0.35 111.806 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.47 -27.27 41.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 0.35 111.198 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.4 44.43 5.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.531 -0.842 . . . . 0.35 111.97 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.501 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 8.7 t -80.2 126.14 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.764 0.316 . . . . 0.35 110.503 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.6 117.41 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.35 111.45 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.473 HG23 HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -49.04 -36.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.473 -0.785 . . . . 0.35 111.187 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.4 -59.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.449 . . . . 0.35 110.751 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -29.71 61.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.35 110.063 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.495 ' CD ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -60.67 -31.34 70.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 0.35 110.161 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HE2' ' CD1' ' A' ' 25' ' ' ILE . 2.4 mttm -54.32 -49.53 69.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.35 111.478 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.403 ' CD1' ' CB ' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -77.41 -20.83 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.381 . . . . 0.35 111.178 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.473 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -93.03 -13.73 28.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.35 111.664 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' ARG . . . -54.75 -48.22 72.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.254 0.464 . . . . 0.35 112.254 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.495 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 4.1 p-80 162.85 -40.38 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.045 0.387 . . . . 0.35 112.045 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.77 -53.1 56.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.242 0.46 . . . . 0.35 112.242 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -109.6 42.21 1.53 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.328 . . . . 0.35 111.243 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -111.82 118.83 36.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 0.35 111.234 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -121.72 115.96 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.689 . . . . 0.35 109.764 179.353 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.753 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.1 tp -105.37 125.76 51.34 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.818 -0.808 . . . . 0.35 108.818 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 1.8 m -113.25 152.37 29.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.35 111.803 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.417 HG13 ' CE2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -137.14 142.24 37.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.709 -0.678 . . . . 0.35 111.103 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.436 HG23 ' O ' ' A' ' 48' ' ' THR . 0.3 OUTLIER -149.45 152.73 36.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.35 110.229 179.056 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.79 129.87 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.35 111.961 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -156.97 88.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.35 110.083 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.37 -143.34 38.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.591 -0.814 . . . . 0.35 111.621 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.09 0.43 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.176 0.488 . . . . 0.35 110.604 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.455 ' HD3' ' O ' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -109.73 147.97 32.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.404 0.621 . . . . 0.35 111.559 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.452 ' CE2' HD21 ' A' ' 64' ' ' LEU . 27.0 m-85 -111.33 142.83 43.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.092 -0.958 . . . . 0.35 110.011 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.436 ' O ' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -106.11 119.54 39.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.92 0.39 . . . . 0.35 110.007 179.253 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -114.14 126.59 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.35 111.101 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 112.47 19.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.867 -0.606 . . . . 0.35 110.902 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.436 ' HB3' ' HB ' ' A' ' 58' ' ' ILE . 56.7 tt0 -90.96 117.42 29.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.35 110.443 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -101.62 140.13 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.35 111.241 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 84.8 p -149.21 161.44 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.35 110.74 179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -91.91 15.73 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.35 111.561 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CB ' ' CD1' ' A' ' 30' ' ' LEU . 2.4 t80 -119.02 -26.96 5.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.677 0.275 . . . . 0.35 111.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -168.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.35 110.936 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.24 146.34 27.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.35 110.942 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HB ' ' HB3' ' A' ' 51' ' ' GLU . 18.2 mt -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.35 111.061 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 177.65 175.46 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.35 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.413 HG12 ' CZ ' ' A' ' 68' ' ' PHE . 14.1 p -178.85 161.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.35 111.388 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.404 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 2.6 t -92.41 146.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.35 111.144 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CZ ' ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -124.54 145.77 49.38 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.35 109.814 179.332 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.62 131.63 14.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.072 0.463 . . . . 0.35 111.173 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.452 HD21 ' CE2' ' A' ' 47' ' ' PHE . 8.5 mt -72.12 105.47 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.35 110.754 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.85 14.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.35 112.315 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.1 t -129.42 158.55 42.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.034 0.445 . . . . 0.35 110.369 179.574 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.616 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.7 m -84.35 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.821 -0.627 . . . . 0.35 111.631 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.28 151.71 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.55 -0.75 . . . . 0.35 109.427 179.202 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -122.3 118.69 29.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.005 0.431 . . . . 0.35 111.946 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -143.26 33.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.35 110.33 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.438 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 13.1 p-10 -86.95 86.77 7.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.827 -0.624 . . . . 0.35 110.965 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.0 mt -153.07 118.46 5.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.35 110.866 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.27 -25.26 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.35 111.233 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.38 -28.52 70.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.35 111.004 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.81 -71.88 0.18 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.708 -0.758 . . . . 0.35 112.546 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.432 ' CG2' ' C12' ' A' ' 201' ' ' KTR . 6.3 t -160.86 -161.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.35 111.0 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.438 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 10.7 tp10 -149.43 71.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.35 110.751 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.502 ' HB3' ' CD2' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -115.17 139.35 49.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.453 . . . . 0.35 111.015 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -124.38 122.12 36.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.35 109.861 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.616 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.08 -153.37 5.94 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 119.63 -1.271 . . . . 0.35 114.185 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -155.47 136.08 13.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.427 0.291 . . . . 0.35 110.571 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.503 ' CE2' ' CZ ' ' A' ' 62' ' ' PHE . 0.7 OUTLIER -111.61 127.6 55.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.44 . . . . 0.35 110.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.94 149.2 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.44 -0.345 . . . . 0.35 110.675 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -118.06 128.52 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.146 0.498 . . . . 0.35 111.384 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.62 103.72 8.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 0.35 110.386 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.93 -108.03 2.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.588 -0.815 . . . . 0.35 112.322 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -115.02 20.83 14.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.553 0.216 . . . . 0.35 111.344 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -139.81 158.48 44.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.868 0.366 . . . . 0.35 111.201 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 84' ' ' LEU . 2.0 pp -127.83 144.85 51.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.35 110.741 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 mp -128.07 124.21 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.35 112.3 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.444 ' O ' ' OG1' ' A' ' 104' ' ' THR . . . -116.09 150.34 18.64 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.411 -0.813 . . . . 0.35 111.156 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.554 ' O ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -152.71 124.66 7.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.363 . . . . 0.35 110.471 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.593 ' CZ ' ' CD2' ' A' ' 68' ' ' PHE . 87.2 m-85 -100.22 172.26 7.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.454 0.645 . . . . 0.35 111.926 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.594 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -149.1 123.97 9.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.35 109.786 179.168 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.491 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 mtp85 -74.09 140.79 45.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.199 0.524 . . . . 0.35 111.387 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.37 -21.4 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.359 -0.837 . . . . 0.35 110.976 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -51.26 -49.44 61.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.35 111.222 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.63 29.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.35 110.93 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.87 51.13 57.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.818 -0.706 . . . . 0.35 112.592 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.594 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 93.0 m-20 -75.23 142.1 43.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.091 -0.337 . . . . 0.35 110.091 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.52 136.09 34.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.45 0.643 . . . . 0.35 112.288 -178.608 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.538 ' HG ' ' HB2' ' A' ' 119' ' ' TYR . 1.0 OUTLIER -137.11 113.14 9.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.62 -1.173 . . . . 0.35 109.965 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.442 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 5.0 m-20 -104.7 149.15 25.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.273 0.559 . . . . 0.35 112.064 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.5 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -146.33 117.63 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.333 -0.849 . . . . 0.35 110.478 178.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.6 t -112.94 128.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.35 111.175 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.442 ' NH2' ' CZ3' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -120.36 115.48 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.35 110.829 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -127.76 148.41 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.35 110.563 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.444 HD13 ' CD2' ' A' ' 113' ' ' LEU . 7.5 mm -85.92 93.16 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.353 . . . . 0.35 111.645 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.516 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 3.1 tp -84.75 115.7 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.45 -0.574 . . . . 0.35 109.45 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.09 -126.33 33.15 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.829 -1.177 . . . . 0.35 111.714 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.22 13.52 33.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.924 0.392 . . . . 0.35 110.359 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.441 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 17.5 mt-10 -132.85 178.56 6.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.904 -0.589 . . . . 0.35 110.283 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.573 ' HG ' ' CZ3' ' A' ' 6' ' ' TRP . 0.9 OUTLIER -119.05 130.02 55.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.35 111.847 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.9 p -104.41 122.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.35 109.129 178.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 0.5 OUTLIER -112.65 138.77 48.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.338 0.589 . . . . 0.35 112.397 -178.082 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' THR . . . . . 0.413 ' CG2' ' HD2' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -138.24 110.82 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.113 -0.949 . . . . 0.35 109.495 179.044 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.534 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 6.7 m-85 -111.57 157.42 20.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.191 -0.459 . . . . 0.35 110.194 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 123' ' ' GLU . 7.2 p -151.31 141.16 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 120.704 0.288 . . . . 0.35 111.24 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.538 ' HB2' ' HG ' ' A' ' 102' ' ' LEU . 65.6 t80 -155.55 108.39 2.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.35 110.729 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.465 ' HG3' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 28.1 89.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.836 -0.62 . . . . 0.35 111.402 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 79.92 -31.58 2.26 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.235 -0.983 . . . . 0.35 112.784 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.689 HG13 ' CD1' ' A' ' 17' ' ' PHE . 12.3 t -83.06 146.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 0.35 111.985 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 3.8 tt0 -162.07 115.58 1.81 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.577 -0.738 . . . . 0.35 109.453 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.464 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -118.87 135.8 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.169 0.509 . . . . 0.35 111.475 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.478 ' N ' ' HD3' ' A' ' 125' ' ' LYS . 0.0 OUTLIER -106.83 158.16 17.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.047 -1.094 . . . . 0.35 108.047 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.526 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 0.3 OUTLIER -162.78 122.85 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.558 -0.857 . . . . 0.35 113.051 -178.935 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.493 HG12 ' CG ' ' A' ' 10' ' ' ARG . 2.2 mm -89.95 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.207 -1.035 . . . . 0.35 108.207 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.867 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 13.7 t80 -130.63 155.39 46.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.36 0.874 . . . . 0.35 113.36 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.48 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -143.59 161.98 37.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.927 -1.033 . . . . 0.35 109.203 177.532 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -109.06 151.55 26.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.125 0.488 . . . . 0.35 111.738 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.274 -0.87 . . . . 0.35 110.963 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' KTR . . . . . 0.535 ' H6 ' ' CE1' ' A' ' 93' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.794 0.33 . . . . 0.35 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.451 ' CE1' ' CD2' ' A' ' 89' ' ' LEU . 0.7 OUTLIER -71.4 -54.99 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.35 110.883 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -52.74 104.38 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 0.35 110.808 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.03 -178.62 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.35 111.17 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.0 m -88.88 116.76 27.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.278 -0.638 . . . . 0.35 109.278 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.856 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.7 m0 -113.73 130.71 56.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.488 0.661 . . . . 0.35 111.736 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.4 pttt -117.84 123.96 47.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.192 -0.913 . . . . 0.35 110.358 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.417 HG11 ' HB3' ' A' ' 36' ' ' LEU . 1.8 p -72.81 131.27 35.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.569 -0.741 . . . . 0.35 111.114 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.428 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.1 t70 -88.31 -61.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.35 111.125 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.482 ' CG ' ' CG1' ' A' ' 127' ' ' ILE . 0.1 OUTLIER -137.96 160.25 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.35 110.878 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.404 ' CB ' ' HB3' ' A' ' 33' ' ' HIS . 0.1 OUTLIER -142.78 137.52 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.183 0.516 . . . . 0.35 111.101 179.376 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.422 ' HG3' ' CB ' ' A' ' 125' ' ' LYS . 3.8 pt-20 -117.38 127.23 53.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.532 -0.758 . . . . 0.35 109.447 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 3.6 m-20 68.1 8.57 6.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.189 -0.46 . . . . 0.35 110.943 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.536 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.7 OUTLIER -56.18 -45.88 79.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.43 -0.952 . . . . 0.35 108.43 178.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.24 -36.11 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.247 0.546 . . . . 0.35 109.727 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.484 ' CB ' ' O ' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -47.96 -39.53 19.62 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.36 -0.836 . . . . 0.35 110.745 179.077 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.628 ' CD1' HG13 ' A' ' 122' ' ' VAL . 2.8 m-85 -73.6 -35.67 65.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.721 -0.672 . . . . 0.35 109.839 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.506 ' HG2' ' CG ' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -71.15 -21.78 62.14 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.61 -0.885 . . . . 0.35 108.61 176.865 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -85.8 -59.86 2.18 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.075 -0.966 . . . . 0.35 112.992 -178.085 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.519 ' N ' ' CG ' ' A' ' 19' ' ' GLU . 2.0 tptp -64.2 -38.9 92.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.735 0.302 . . . . 0.35 111.123 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.6 mtp -85.01 -17.63 36.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.35 111.071 179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.78 7.08 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.28 -0.962 . . . . 0.35 111.237 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.479 HG21 ' HA ' ' A' ' 18' ' ' MET . 73.0 t -81.65 130.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.838 0.352 . . . . 0.35 110.915 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.464 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 29.1 t30 -43.67 162.28 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.033 -0.53 . . . . 0.35 111.372 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.402 ' O ' ' N ' ' A' ' 29' ' ' LYS . 4.0 tp -86.93 -45.86 16.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 0.35 112.227 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 17.4 t -51.3 -49.32 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.844 0.313 . . . . 0.35 111.844 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -76.8 -32.22 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.35 110.586 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.506 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 1.2 tmm_? -73.69 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.799 -0.637 . . . . 0.35 111.227 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' N ' ' O ' ' A' ' 25' ' ' ILE . 1.7 tptp -44.54 -58.47 2.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.35 111.762 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.37 -31.72 13.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.134 0.492 . . . . 0.35 110.484 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.536 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -69.14 -14.0 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.676 -0.693 . . . . 0.35 112.037 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -54.84 -45.97 74.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.745 0.646 . . . . 0.35 112.745 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.2 p-80 163.54 -37.37 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.213 0.449 . . . . 0.35 112.213 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.09 -50.99 59.79 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.66 0.615 . . . . 0.35 112.66 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.93 79.77 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.926 0.393 . . . . 0.35 111.69 -178.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' HB3' HG11 ' A' ' 8' ' ' VAL . 14.2 tp -135.18 141.01 45.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.35 110.81 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.437 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.6 OUTLIER -128.22 118.58 23.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.35 110.046 179.631 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.689 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 2.1 tp -104.86 134.48 47.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.472 -0.785 . . . . 0.35 109.189 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 87.6 m -123.65 161.11 25.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.35 111.688 -178.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.438 HD13 ' CE2' ' A' ' 6' ' ' TRP . 46.5 mt -138.81 146.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.716 -0.674 . . . . 0.35 111.022 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -136.82 163.8 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.35 110.983 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -119.47 124.53 46.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.35 111.042 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -159.02 92.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.35 110.579 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.74 48.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.448 -0.882 . . . . 0.35 111.897 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 5.56 21.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.004 0.402 . . . . 0.35 110.79 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.564 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -122.3 144.52 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.35 111.514 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 5.5 m-30 -111.57 165.92 11.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.35 110.807 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -125.29 119.65 29.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.377 -0.374 . . . . 0.35 110.442 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.476 HG22 ' O ' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -104.71 118.96 52.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.958 0.408 . . . . 0.35 110.937 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -107.98 119.31 39.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 0.35 110.885 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.437 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 7.0 mt-10 -107.36 117.82 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.35 110.848 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -132.55 143.22 49.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.35 111.279 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 48.8 m -149.85 146.94 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.35 110.722 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 38.05 -93.69 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.35 111.865 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -122.96 -27.05 4.29 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.672 0.272 . . . . 0.35 111.301 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -57.43 173.2 0.28 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.895 0.379 . . . . 0.35 111.191 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -141.67 131.38 24.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.35 110.932 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.402 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 7.3 mt -142.86 152.98 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.35 110.9 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.35 110.796 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.509 ' O ' HG13 ' A' ' 60' ' ' VAL . 7.2 p -172.94 97.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 0.35 111.742 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.483 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 1.9 p -60.04 155.31 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.64 -0.504 . . . . 0.35 109.64 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 17.3 m-85 -153.55 164.99 37.28 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.296 -0.561 . . . . 0.35 112.359 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.564 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 36.9 tt0 -127.72 152.49 47.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.425 -0.807 . . . . 0.35 111.028 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.415 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 33.4 mt -77.37 105.58 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.035 -0.529 . . . . 0.35 110.43 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.57 22.98 9.78 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.564 -0.827 . . . . 0.35 111.912 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.417 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 54.9 t -130.08 139.56 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.259 0.552 . . . . 0.35 110.446 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -50.21 145.53 5.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.264 -0.88 . . . . 0.35 112.512 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.649 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -83.02 160.62 21.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.955 -1.021 . . . . 0.35 109.104 178.836 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -142.64 140.54 31.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.35 111.847 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.455 ' CE1' ' C15' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -170.79 41.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.499 -0.773 . . . . 0.35 110.19 179.326 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -51.86 156.32 1.51 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.721 -0.672 . . . . 0.35 111.417 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.62 83.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.35 110.551 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.99 -27.06 4.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.35 111.458 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.24 27.04 9.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.35 111.12 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -135.36 -77.26 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.569 -0.824 . . . . 0.35 112.471 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.1 t -161.37 -44.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.35 111.597 -179.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 66.26 109.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.35 110.482 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.555 ' HB3' ' CG ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -135.67 124.93 24.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.385 . . . . 0.35 110.857 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 3.9 mtt85 -133.0 121.39 22.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.291 -0.413 . . . . 0.35 111.254 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.02 -111.14 0.84 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.582 -0.818 . . . . 0.35 112.345 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.403 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.9 p -158.35 175.62 13.49 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.02 0.438 . . . . 0.35 111.255 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.525 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 2.3 t90 -155.91 127.67 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.35 110.304 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.58 149.49 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 0.35 111.097 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' CD1' ' CE2' ' A' ' 47' ' ' PHE . 0.0 OUTLIER -104.5 133.64 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.35 110.732 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.45 94.42 4.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.35 111.056 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.06 -109.6 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.35 112.345 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.93 20.87 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.741 0.305 . . . . 0.35 111.032 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 156.79 48.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.35 110.695 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.451 ' CD2' ' CE1' ' A' ' 2' ' ' PHE . 4.1 pp -129.57 123.09 30.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.35 110.916 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 mm -100.67 137.48 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.259 0.552 . . . . 0.35 111.668 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -136.73 152.5 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.349 -0.841 . . . . 0.35 111.092 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 157.79 41.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 0.35 111.23 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.627 ' CZ ' ' CD2' ' A' ' 68' ' ' PHE . 34.1 m-85 -136.29 173.27 11.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.685 -0.689 . . . . 0.35 110.666 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.622 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -148.19 132.45 17.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.335 -0.848 . . . . 0.35 109.994 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.43 ' HG3' ' CZ ' ' A' ' 119' ' ' TYR . 14.7 mtp180 -79.25 151.96 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.178 0.513 . . . . 0.35 111.327 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -23.8 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.212 -0.904 . . . . 0.35 111.22 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.63 -36.25 10.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.93 0.395 . . . . 0.35 111.085 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.97 39.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.54 . . . . 0.35 110.497 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . 0.455 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.34 65.68 2.63 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.954 -0.566 . . . . 0.35 112.587 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.622 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 54.2 m-80 -83.43 135.33 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.372 . . . . 0.35 110.169 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 28.5 mt-10 -69.99 136.13 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.35 112.027 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.438 HD11 ' CD1' ' A' ' 119' ' ' TYR . 1.1 tt -142.6 111.22 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.35 109.829 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.455 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 3.2 m120 -104.32 150.45 24.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.322 0.582 . . . . 0.35 112.24 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.475 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -146.32 117.06 7.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.35 110.248 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 22.0 t -119.49 125.3 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.35 111.385 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.0 mtt180 -107.73 115.64 30.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.35 110.657 179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.45 143.29 45.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.35 110.801 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . . . . . . . . . 9.2 mm -88.86 94.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.382 . . . . 0.35 110.835 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.555 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 6.0 tp -86.26 58.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.824 0.821 . . . . 0.35 110.519 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.39 -129.42 9.28 Favored Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.137 -1.03 . . . . 0.35 111.733 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.96 -4.67 42.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.546 0.212 . . . . 0.35 110.83 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.433 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 42.2 mt-10 -124.83 173.97 8.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.995 0.426 . . . . 0.35 111.144 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.577 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 0.8 OUTLIER -121.11 130.07 53.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.35 111.076 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 7.3 p -105.25 107.33 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.443 -0.577 . . . . 0.35 109.443 178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.483 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -95.55 140.6 30.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.35 112.204 -178.405 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -138.13 109.64 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.826 . . . . 0.35 109.766 179.174 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.521 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 4.9 m-85 -109.51 159.84 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 0.35 110.173 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.469 ' HB ' ' HG3' ' A' ' 123' ' ' GLU . 12.3 p -151.52 139.74 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.652 0.263 . . . . 0.35 110.904 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.507 ' CD2' ' HG2' ' A' ' 20' ' ' LYS . 39.7 t80 -155.03 114.43 3.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 0.35 110.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' CG ' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 26.08 89.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.674 -0.694 . . . . 0.35 112.339 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 72.85 -6.54 12.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.576 -0.821 . . . . 0.35 113.737 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.628 HG13 ' CD1' ' A' ' 17' ' ' PHE . 13.2 t -107.79 143.8 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.35 111.667 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.469 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.0 tt0 -155.37 114.17 3.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.35 109.715 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . . . . . . . . . . . -120.22 142.15 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.35 111.785 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.44 ' HA ' ' O ' ' A' ' 115' ' ' GLN . 0.0 OUTLIER -108.81 164.61 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.759 -0.83 . . . . 0.35 108.759 178.96 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -159.43 124.57 4.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.917 -0.713 . . . . 0.35 112.812 -178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.482 ' CG1' ' CG ' ' A' ' 10' ' ' ARG . 5.0 mm -85.39 148.69 4.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 108.795 -0.817 . . . . 0.35 108.795 177.733 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.856 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 50.2 t80 -130.18 153.9 48.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.154 0.798 . . . . 0.35 113.154 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.428 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 32.1 mmtm -143.49 157.91 44.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.661 -1.154 . . . . 0.35 109.058 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -108.07 151.15 26.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.05 0.453 . . . . 0.35 111.664 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.206 -0.902 . . . . 0.35 110.923 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' KTR . . . . . 0.455 ' C15' ' CE1' ' A' ' 70' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.856 0.36 . . . . 0.35 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.419 ' CE2' HD12 ' A' ' 84' ' ' LEU . 2.1 m-85 -89.43 -49.61 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.35 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 107.24 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.35 110.957 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.97 178.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.963 0.411 . . . . 0.35 111.346 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.424 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 77.6 m -88.64 125.0 34.62 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.747 -0.834 . . . . 0.35 108.747 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.834 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 19.4 m0 -116.73 127.84 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.35 112.895 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.553 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 1.6 pttt -116.65 122.55 44.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.915 -1.039 . . . . 0.35 110.198 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.424 ' CG2' ' HD3' ' A' ' 126' ' ' ARG . 8.5 p -67.02 130.82 32.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.257 -0.883 . . . . 0.35 110.943 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.411 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.0 t70 -89.78 -80.18 0.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.35 111.154 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.529 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.3 ptt180 -113.75 156.21 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.044 0.45 . . . . 0.35 110.755 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 p -130.23 144.3 51.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.35 110.878 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -137.01 132.4 34.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.936 -0.575 . . . . 0.35 110.376 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.53 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 62.49 11.87 4.98 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.464 0.65 . . . . 0.35 111.002 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TYR . . . . . 0.482 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.537 -0.912 . . . . 0.35 108.537 178.547 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 18' ' ' MET . 5.1 m-20 -54.2 -26.8 30.23 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.648 -0.705 . . . . 0.35 109.726 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.565 ' HG2' ' CG1' ' A' ' 122' ' ' VAL . 0.1 OUTLIER -55.7 -44.34 77.31 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.493 -0.776 . . . . 0.35 110.306 179.159 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.652 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.3 m-30 -70.65 -25.11 62.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.673 -0.694 . . . . 0.35 110.961 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.624 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.4 -30.77 70.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.35 110.34 178.91 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.79 -60.02 2.07 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.576 0.584 . . . . 0.35 112.576 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.517 ' CG ' ' CG2' ' A' ' 122' ' ' VAL . 0.6 OUTLIER -50.33 -47.99 55.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.786 0.327 . . . . 0.35 111.455 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -87.47 -27.66 22.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.35 111.067 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.61 54.47 2.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.59 -0.814 . . . . 0.35 112.084 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.624 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 6.6 t -87.52 122.05 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.35 110.504 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -63.17 178.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.274 0.559 . . . . 0.35 111.516 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.0 tt -90.76 -31.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.412 -0.813 . . . . 0.35 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -50.7 -51.04 21.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.771 -0.65 . . . . 0.35 111.405 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -85.62 -31.48 22.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.35 110.804 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.5 tmm_? -74.75 -20.85 59.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.35 111.774 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ILE . 5.5 mttm -47.21 -46.09 23.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.35 111.518 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -99.79 -35.13 9.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.35 110.434 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -68.75 -15.08 63.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.35 111.791 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -56.1 -47.78 77.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.872 0.323 . . . . 0.35 111.872 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.431 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 10.5 p80 164.24 -48.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.88 0.371 . . . . 0.35 111.628 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.47 -55.82 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.35 111.916 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -111.9 68.94 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.921 0.391 . . . . 0.35 111.305 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.4 ' HB3' HG11 ' A' ' 8' ' ' VAL . 25.2 tp -134.27 120.06 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.35 111.073 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.553 ' HE3' ' HB3' ' A' ' 7' ' ' LYS . 1.1 tmtp? -116.49 115.96 26.76 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.35 109.961 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.794 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 5.6 tp -108.15 123.33 48.57 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.555 -0.906 . . . . 0.35 108.555 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.5 m -118.48 153.6 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.35 112.251 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.417 HD12 ' CE2' ' A' ' 6' ' ' TRP . 41.5 mt -131.81 119.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.456 -0.793 . . . . 0.35 110.857 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.33 176.09 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.488 -0.324 . . . . 0.35 110.818 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -113.7 123.55 50.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.35 111.454 -179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -154.37 88.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.927 -0.579 . . . . 0.35 110.539 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.52 -138.14 37.43 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.802 . . . . 0.35 111.971 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.8 1.12 21.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.104 0.452 . . . . 0.35 110.833 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.552 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -113.68 149.21 35.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.323 0.582 . . . . 0.35 111.677 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' PHE . 20.9 m-85 -109.03 132.72 53.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.35 110.488 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 128.54 37.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.695 0.283 . . . . 0.35 110.538 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.519 ' CG2' ' CE2' ' A' ' 62' ' ' PHE . 10.2 t -106.92 124.96 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.35 111.668 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 11.1 ttmt -117.86 112.24 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.615 -0.721 . . . . 0.35 110.225 179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.453 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -98.48 142.76 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.35 111.116 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -129.86 143.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.859 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -147.28 -178.52 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.35 110.795 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.89 -16.71 15.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.35 111.587 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -111.09 -26.68 9.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.664 0.269 . . . . 0.35 111.306 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.18 -166.85 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.35 111.047 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -135.37 159.23 42.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.35 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.7 mt -150.11 162.33 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.35 110.781 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -175.71 169.98 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.35 111.361 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.439 HG11 ' CE1' ' A' ' 62' ' ' PHE . 4.2 p 178.07 125.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.35 110.86 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.21 142.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.863 0.363 . . . . 0.35 110.292 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' PHE . . . . . 0.547 ' CZ ' ' CZ ' ' A' ' 68' ' ' PHE . 21.4 m-30 -122.14 154.04 37.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.35 110.56 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.628 ' HB3' ' CG1' ' A' ' 66' ' ' VAL . 0.2 OUTLIER -149.93 154.36 38.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.293 -0.867 . . . . 0.35 109.794 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -81.88 99.11 8.86 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.283 -0.567 . . . . 0.35 109.651 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.42 24.82 5.21 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.608 -0.806 . . . . 0.35 113.193 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.628 ' CG1' ' HB3' ' A' ' 63' ' ' GLU . 1.4 p -122.31 161.28 23.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.032 0.444 . . . . 0.35 110.403 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . 0.604 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -87.45 143.62 27.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 0.35 110.552 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.639 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -82.42 156.12 24.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.739 -0.664 . . . . 0.35 110.87 -179.585 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -142.6 118.83 10.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.35 111.147 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TYR . . . . . 0.419 ' CE1' ' H8 ' ' A' ' 201' ' ' KTR . 0.1 OUTLIER -157.17 64.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.35 110.287 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -59.31 2.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.35 110.922 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 4.8 tt 63.47 120.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.35 110.629 -179.811 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.15 133.92 38.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.35 111.341 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 t0 61.16 27.88 17.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.35 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.83 -81.59 0.38 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.622 -0.799 . . . . 0.35 112.299 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 t -157.43 -165.68 1.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.908 0.385 . . . . 0.35 111.231 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -155.3 75.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.961 -0.563 . . . . 0.35 110.094 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.565 ' HB3' ' CD1' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -102.76 118.21 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.35 111.374 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ARG . . . . . 0.806 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 1.6 ttp180 -124.85 117.72 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.772 -0.649 . . . . 0.35 110.906 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.604 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.27 -126.17 2.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.176 -1.011 . . . . 0.35 112.67 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 18.6 p -157.72 175.38 13.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.199 0.523 . . . . 0.35 111.409 179.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' TRP . . . . . 0.605 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -145.83 127.96 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.35 109.471 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.6 m -138.43 149.54 45.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.35 111.344 -179.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 HD12 ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -121.46 124.99 45.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.35 110.609 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -114.04 94.31 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.892 -0.594 . . . . 0.35 110.767 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.39 -101.5 0.29 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.541 -0.838 . . . . 0.35 111.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.88 21.07 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.72 0.295 . . . . 0.35 110.794 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -124.39 148.84 47.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.939 0.4 . . . . 0.35 111.084 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . 0.447 ' CD2' ' CZ3' ' A' ' 82' ' ' TRP . 1.7 tm? -129.7 128.48 42.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.35 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -126.53 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.228 0.537 . . . . 0.35 111.957 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLY . . . . . 0.516 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -130.69 156.61 21.75 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.368 -0.833 . . . . 0.35 111.102 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.511 ' HG3' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -152.05 158.9 43.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.169 0.484 . . . . 0.35 111.719 -178.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PHE . . . . . 0.639 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 52.2 m-85 -141.69 170.6 15.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.763 -0.653 . . . . 0.35 109.872 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.806 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.62 124.1 8.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.35 110.137 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.545 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.2 mtp180 -76.25 144.9 40.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.545 . . . . 0.35 111.261 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -21.76 43.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.35 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.7 -38.67 48.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.35 111.082 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.79 31.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.35 110.838 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.6 36.99 66.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.69 . . . . 0.35 112.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.619 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 27.5 m120 -63.48 136.24 57.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.929 -0.397 . . . . 0.35 109.929 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . 0.447 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 8.7 mm-40 -83.21 149.36 26.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 0.35 111.702 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.526 ' CD1' ' HB2' ' A' ' 119' ' ' TYR . 4.3 tt -143.83 111.92 6.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.065 -0.97 . . . . 0.35 110.467 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.404 ' HB2' ' CG1' ' A' ' 118' ' ' VAL . 3.8 m120 -102.94 150.6 23.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.35 111.364 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.438 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -146.04 117.55 8.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.567 -0.742 . . . . 0.35 110.486 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.59 118.49 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.35 111.145 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 -114.17 116.26 28.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.35 110.832 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.22 137.38 52.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.35 110.597 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ILE . . . . . 0.487 HD11 ' CD2' ' A' ' 113' ' ' LEU . 8.4 mm -75.1 83.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.35 111.037 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.485 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.5 tp -75.42 118.53 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.738 -0.467 . . . . 0.35 109.738 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 48.98 -121.13 7.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 119.976 -1.107 . . . . 0.35 111.892 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 15.91 27.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.445 . . . . 0.35 110.261 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.439 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 26.0 mt-10 -132.8 177.79 7.37 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.041 -0.527 . . . . 0.35 110.421 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.54 ' HG ' ' CZ3' ' A' ' 6' ' ' TRP . 2.2 mm? -119.76 130.35 54.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.063 0.459 . . . . 0.35 111.864 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.53 107.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.718 -0.674 . . . . 0.35 109.348 178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . 0.51 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.2 mt-30 -94.18 138.89 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.191 0.519 . . . . 0.35 112.209 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.93 114.35 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.358 -0.837 . . . . 0.35 109.747 179.032 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' TYR . . . . . 0.492 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.3 m-85 -115.95 156.51 26.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.364 -0.38 . . . . 0.35 110.494 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' VAL . . . . . 0.494 ' HB ' ' HG3' ' A' ' 123' ' ' GLU . 9.9 p -150.98 129.76 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 120.671 0.272 . . . . 0.35 111.511 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' TYR . . . . . 0.526 ' HB2' ' CD1' ' A' ' 102' ' ' LEU . 43.1 t80 -139.94 116.16 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.35 110.471 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 9.6 mm-40 25.03 89.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.544 -0.753 . . . . 0.35 112.998 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.2 -36.99 2.87 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.676 -0.773 . . . . 0.35 114.65 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.652 HG12 ' CE1' ' A' ' 17' ' ' PHE . 3.2 t -95.67 144.26 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.795 0.665 . . . . 0.35 112.795 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.494 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 3.7 tt0 -140.9 117.59 10.96 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.985 -1.007 . . . . 0.35 109.314 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ALA . . . . . 0.508 ' HA ' ' CB ' ' A' ' 13' ' ' ASN . . . -120.4 136.08 54.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.35 111.525 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt -108.04 164.81 11.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.35 109.489 179.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.51 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 4.6 ttm180 -159.41 116.22 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.463 -0.495 . . . . 0.35 112.188 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . 0.529 HG12 ' HG3' ' A' ' 10' ' ' ARG . 3.7 mm -80.87 138.08 20.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 108.915 -0.772 . . . . 0.35 108.915 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' PHE . . . . . 0.834 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 29.9 t80 -117.89 153.9 32.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.497 0.665 . . . . 0.35 112.764 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 3.5 mmmm -143.01 161.87 36.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.824 -1.08 . . . . 0.35 109.076 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 151.72 22.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.171 0.51 . . . . 0.35 111.939 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.185 -0.912 . . . . 0.35 110.953 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' KTR . . . . . 0.486 ' O3 ' ' CD2' ' A' ' 117' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.868 0.366 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.896 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 1.9 m-85 -89.5 -48.86 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.47 110.84 0.61 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.4 178.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.409 . . . . 0.0 111.124 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.2 m -88.79 121.0 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.874 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 19.3 m0 -114.46 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.512 0.672 . . . . 0.0 112.091 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.532 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -120.53 112.98 19.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.255 178.948 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.839 HG21 ' HD2' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -64.2 139.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.098 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -100.84 -73.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.222 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.592 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.1 ptp85 -118.39 161.82 19.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 12.7 p -139.04 161.97 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -138.99 129.64 26.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.676 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 5.8 m-20 59.6 16.59 5.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.124 0.488 . . . . 0.0 111.19 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 9.4 t80 -56.74 -44.49 81.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 18' ' ' MET . 24.6 t0 -57.7 -30.63 65.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.616 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.999 ' HG2' HG13 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -51.97 -42.72 63.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.493 179.238 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.899 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.1 m-85 -71.09 -30.4 66.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.784 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.731 ' HE3' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -64.94 -32.05 73.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.181 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -87.75 -60.7 1.9 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.81 ' HB2' HG21 ' A' ' 122' ' ' VAL . 2.0 tptp -58.36 -38.19 76.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.0 111.36 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.474 ' HG2' ' CD2' ' A' ' 119' ' ' TYR . 4.9 mtm -90.08 -17.54 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.959 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.51 50.15 21.86 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.937 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.731 HG21 ' HE3' ' A' ' 18' ' ' MET . 5.7 t -87.18 125.66 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.789 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.606 HD21 HG23 ' A' ' 26' ' ' VAL . 7.0 t-20 -50.34 156.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.183 0.516 . . . . 0.0 111.236 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.454 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 14.4 tt -88.72 -40.21 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.242 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 HD21 ' A' ' 24' ' ' ASN . 22.5 t -52.84 -44.16 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.209 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -32.36 45.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.185 0.517 . . . . 0.0 109.953 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.2 tmm_? -73.24 -20.2 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.364 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -42.09 -56.43 2.85 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.613 HD13 ' H ' ' A' ' 54' ' ' ALA . 11.7 mt -98.22 -21.98 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.056 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.789 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -78.85 -14.67 59.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.576 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . . . -55.84 -48.24 75.83 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 6.3 p-80 165.26 -39.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 111.548 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 5.4 p30 -54.54 -58.06 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.878 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.53 63.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.967 0.413 . . . . 0.0 111.022 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 31' ' ' ALA . 3.5 tm? -120.83 127.07 51.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.5 tppt? -115.52 119.98 37.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.872 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.874 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 4.9 tp -112.22 111.75 22.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.376 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.425 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 58.5 m -100.66 144.89 29.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.932 0.396 . . . . 0.0 111.519 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.695 HD12 ' CE2' ' A' ' 6' ' ' TRP . 77.3 mt -122.4 125.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.203 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.65 66.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.167 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 13.1 mt-30 -51.51 119.58 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.77 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.81 100.97 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.03 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.77 -128.87 45.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.691 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.69 15.11 8.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 117.288 0.544 . . . . 0.0 110.646 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -138.16 137.68 37.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.234 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' PHE . 10.6 m-30 -112.07 132.43 54.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.71 137.92 31.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.623 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.771 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 18.7 t -119.56 111.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.989 0.423 . . . . 0.0 111.514 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' H ' ' HB ' ' A' ' 39' ' ' THR . 16.8 tptm -107.01 111.79 24.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.109 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.9 mt-10 -96.9 134.1 40.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.071 0.462 . . . . 0.0 111.382 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -116.14 140.07 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.597 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.5 171.53 16.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.781 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.613 ' H ' HD13 ' A' ' 30' ' ' LEU . . . -51.71 -69.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.259 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.52 -26.69 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 153.94 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 111.008 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.52 147.78 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 51' ' ' GLU . 3.3 mt -146.2 155.41 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 1.5 tt0 -169.41 144.22 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.838 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 62' ' ' PHE . 5.6 p -156.79 121.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.301 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.499 ' HB ' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -75.73 150.39 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 49' ' ' VAL . 21.6 m-30 -124.89 151.24 45.6 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 120.821 0.343 . . . . 0.0 110.487 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 19.2 tt0 -149.37 118.39 6.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.466 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 83' ' ' SER . 44.5 mt -60.03 107.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.0 110.742 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.26 25.55 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.967 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 67' ' ' THR . 48.5 t -136.54 160.84 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.379 . . . . 0.0 110.412 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.66 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -84.07 148.3 26.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.221 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.585 ' CE1' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -83.28 153.82 24.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.806 179.16 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -136.55 126.59 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.0 111.436 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.696 0.284 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.828 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.82 124.41 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.956 0.408 . . . . 0.0 111.242 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.803 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -128.1 125.13 38.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.921 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.66 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -146.03 -120.17 1.27 Allowed Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.01 -1.09 . . . . 0.0 112.815 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.3 p -158.02 175.45 13.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.695 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -152.29 128.19 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 179.47 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.416 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -147.1 149.25 32.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -119.47 129.11 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -115.55 94.52 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.75 -103.77 1.7 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.223 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -114.53 20.98 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.638 0.256 . . . . 0.0 111.219 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -134.3 142.68 47.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 111.218 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.896 HD23 ' CZ ' ' A' ' 2' ' ' PHE . 3.8 pp -116.3 139.48 50.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.848 HG22 ' HE3' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -128.54 95.73 2.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 111.845 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 104' ' ' THR . . . -85.17 167.75 41.91 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.938 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.848 ' HE3' HG22 ' A' ' 90' ' ' ILE . 1.0 OUTLIER -154.88 158.64 39.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.026 0.441 . . . . 0.0 111.81 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.664 ' HB3' HD23 ' A' ' 78' ' ' LEU . 59.1 m-85 -144.88 171.45 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.984 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.803 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -153.71 127.31 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.195 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.478 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -77.1 145.69 37.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.026 0.441 . . . . 0.0 111.095 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.96 -20.27 49.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.981 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -50.69 -49.79 56.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -155.72 30.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.6 49.85 67.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.633 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 78.2 m-20 -73.73 137.46 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.29 139.46 33.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.0 111.832 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.828 HD13 ' CD2' ' A' ' 78' ' ' LEU . 4.5 tt -135.5 127.47 29.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.808 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.746 ' HB2' HG12 ' A' ' 118' ' ' VAL . 2.0 m120 -121.31 148.63 44.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.932 0.396 . . . . 0.0 111.663 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 91' ' ' GLY . 4.7 t -146.81 128.39 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.692 HG22 HG23 ' A' ' 90' ' ' ILE . 21.4 t -125.27 114.82 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.638 ' CG ' HD11 ' A' ' 89' ' ' LEU . 28.5 mtt180 -105.93 116.36 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.876 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.0 OUTLIER -113.18 155.42 25.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.72 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 113' ' ' LEU . 4.7 mm -91.32 93.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.538 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.843 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.1 tp -83.75 59.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.803 0.811 . . . . 0.0 110.717 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.69 -127.95 8.41 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 120.034 -1.079 . . . . 0.0 111.977 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.03 -4.3 40.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.751 -0.224 . . . . 0.0 111.149 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HD22 ' A' ' 113' ' ' LEU . 30.7 mt-10 -128.5 175.63 8.38 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.027 0.441 . . . . 0.0 111.168 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 108' ' ' ILE . 1.7 mm? -121.35 130.5 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.188 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.7 p -105.24 108.02 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.783 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 6.1 mt-30 -98.08 139.94 33.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.203 0.525 . . . . 0.0 112.089 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.784 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.08 114.15 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.711 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -114.31 149.7 35.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.746 HG12 ' HB2' ' A' ' 103' ' ' ASN . 10.0 p -139.29 143.21 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.0 110.616 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.539 ' CG ' HD12 ' A' ' 102' ' ' LEU . 68.4 t80 -155.34 104.02 2.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.072 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.9 OUTLIER 26.08 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.222 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 78.52 -19.57 4.78 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.928 -0.653 . . . . 0.0 114.292 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.999 HG13 ' HG2' ' A' ' 16' ' ' LYS . 54.1 t -107.18 108.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.388 0.594 . . . . 0.0 112.472 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.2 OUTLIER -115.96 117.76 31.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.75 178.371 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.518 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -119.49 135.75 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 111.071 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.784 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.12 164.83 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.724 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.839 ' HD2' HG21 ' A' ' 8' ' ' VAL . 7.4 ttp85 -159.96 114.43 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.102 -0.639 . . . . 0.0 112.622 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.592 HG12 ' HG3' ' A' ' 10' ' ' ARG . 4.0 mm -80.78 138.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.859 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 33.5 t80 -117.43 155.75 29.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 38.4 mttm -142.77 161.38 38.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.197 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -108.71 151.55 26.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.494 . . . . 0.0 111.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.224 -0.893 . . . . 0.35 110.941 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.872 0.368 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.593 ' CE1' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -89.48 -55.22 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.3 -175.78 0.15 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.905 0.383 . . . . 0.0 111.3 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -88.95 116.62 27.37 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.859 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.5 m0 -114.37 125.89 54.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.689 0.757 . . . . 0.0 112.177 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.528 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -116.65 123.61 47.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.87 178.185 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.803 HG21 ' HD2' ' A' ' 126' ' ' ARG . 2.6 p -72.99 135.63 27.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.392 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 32.4 t70 -95.04 -75.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' CG ' ' CG1' ' A' ' 127' ' ' ILE . 0.0 OUTLIER -113.89 155.14 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.694 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 93.3 p -130.26 153.18 48.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.012 0.434 . . . . 0.0 111.094 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.72 123.71 24.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.734 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.521 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 13.3 m-20 60.86 14.34 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.594 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -56.61 -43.72 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 18' ' ' MET . 3.6 t70 -56.26 -31.33 63.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.519 178.104 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.939 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -53.7 -43.66 69.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.473 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.899 ' CE1' HG12 ' A' ' 122' ' ' VAL . 1.9 m-85 -72.18 -23.55 61.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.627 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.617 ' CG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.38 -36.35 74.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.666 178.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.61 -60.94 1.84 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.833 ' HB2' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -52.85 -47.25 67.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.69 0.281 . . . . 0.0 111.265 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.772 ' SD ' HD11 ' A' ' 78' ' ' LEU . 3.5 tmm? -77.16 -28.41 54.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.14 72.03 0.99 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.536 HG12 ' SD ' ' A' ' 21' ' ' MET . 5.9 m -97.04 -178.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.87 120.48 40.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.82 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.2 OUTLIER -53.69 -31.81 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.511 HG12 HH22 ' A' ' 56' ' ' ARG . 21.3 t -50.82 -49.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.799 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -32.2 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.0 110.676 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.636 ' HD3' ' HB2' ' A' ' 32' ' ' ALA . 2.5 tmm_? -63.87 -21.61 66.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.199 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.72 ' HE2' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -48.48 -39.83 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 111.177 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' CB ' ' A' ' 53' ' ' SER . 2.1 mt -107.9 -13.82 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.647 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -93.28 -14.43 26.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.719 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -55.62 -47.36 76.7 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.7 p-80 160.11 -38.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 111.414 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.59 -57.88 10.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.676 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -116.15 49.14 1.15 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.0 111.147 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 31' ' ' ALA . 2.8 tm? -102.17 122.78 44.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 1.9 tppp? -114.32 116.76 29.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.093 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.734 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.7 tp -111.26 128.78 56.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.156 -0.929 . . . . 0.0 108.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' HG12 ' A' ' 49' ' ' VAL . 90.3 m -124.41 161.44 25.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.949 0.404 . . . . 0.0 111.645 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.492 HD12 ' CE2' ' A' ' 6' ' ' TRP . 43.0 mt -139.15 128.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.322 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.542 HG22 ' H ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -122.15 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.964 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.542 ' H ' HG22 ' A' ' 41' ' ' THR . 1.8 tm0? -138.13 129.69 27.92 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -155.31 95.78 1.74 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.203 178.285 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.89 -139.72 48.3 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 119.994 -1.098 . . . . 0.0 111.36 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.13 1.21 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.238 0.519 . . . . 0.0 110.907 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.697 ' HZ1' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -109.08 142.21 40.12 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.113 0.482 . . . . 0.0 110.96 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.668 ' C ' ' HE3' ' A' ' 46' ' ' LYS . 21.0 m-30 -109.74 147.76 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.027 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.439 ' OG1' ' HB ' ' A' ' 41' ' ' THR . 0.3 OUTLIER -107.28 120.19 41.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.917 0.389 . . . . 0.0 111.1 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.669 HG22 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -103.16 111.11 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.388 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.98 111.9 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.612 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 -98.33 119.08 36.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.89 142.87 32.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.678 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -149.36 147.79 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.813 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 53' ' ' SER . . . 8.4 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 56' ' ' ARG . 6.2 p90 -122.59 -27.32 4.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.283 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.511 HH22 HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -64.11 -178.35 0.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.64 125.85 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.009 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.449 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 45.4 mt -125.09 147.79 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.733 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 60' ' ' VAL . 30.5 tt0 -158.91 162.05 36.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.117 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 59' ' ' GLU . 23.1 t -160.65 159.66 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.309 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.697 HG22 ' HZ1' ' A' ' 46' ' ' LYS . 2.5 t -126.66 147.84 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.673 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -156.82 124.94 5.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.666 0.746 . . . . 0.0 110.959 179.443 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 4.3 tt0 -107.9 142.27 38.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.96 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.35 104.3 0.25 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.664 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.67 16.92 29.94 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.01 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -131.73 131.36 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.245 0.545 . . . . 0.0 110.599 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.673 HG21 ' HD3' ' A' ' 79' ' ' ARG . 4.4 m -41.28 142.85 0.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.8 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -81.65 151.68 27.48 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.625 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -124.05 118.58 27.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.133 0.492 . . . . 0.0 112.013 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.463 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 1.5 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.95 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.708 0.289 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.846 HD21 HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -125.05 116.65 22.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.984 0.421 . . . . 0.0 110.533 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.673 ' HD3' HG21 ' A' ' 67' ' ' THR . 0.1 OUTLIER -124.57 121.55 35.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.02 -179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.629 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.52 -123.05 1.64 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.172 -1.013 . . . . 0.0 112.79 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.667 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 19.1 p -157.72 150.4 22.85 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.89 0.376 . . . . 0.0 111.055 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.828 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -127.51 127.07 43.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 179.383 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.25 149.36 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.974 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -120.35 129.84 54.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -119.61 99.32 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.675 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.62 -106.75 2.17 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.355 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -114.59 20.89 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.663 0.268 . . . . 0.0 111.317 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.1 144.53 47.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.404 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.828 HD13 ' CZ2' ' A' ' 82' ' ' TRP . 4.1 pp -114.2 140.38 48.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.752 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.629 HG23 HG22 ' A' ' 105' ' ' VAL . 1.1 mp -128.33 96.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 111.576 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.451 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -84.73 167.11 42.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.023 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.601 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -153.86 155.02 34.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.418 . . . . 0.0 111.457 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.906 ' HB2' HD22 ' A' ' 102' ' ' LEU . 71.8 m-85 -145.35 171.26 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.386 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.522 ' HG2' ' HA2' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -152.61 130.78 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.114 177.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.5 mtp180 -75.82 140.8 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.048 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -22.56 62.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.71 -41.24 55.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -171.71 35.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.666 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.522 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.93 62.75 4.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.754 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 1.1 m-80 -79.3 132.74 36.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.0 110.315 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 30.4 mt-10 -66.93 132.25 47.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.589 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.906 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.8 tt -140.93 111.2 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.402 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.817 ' HB2' HG12 ' A' ' 118' ' ' VAL . 0.6 OUTLIER -104.87 149.67 25.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.221 0.534 . . . . 0.0 111.496 -179.233 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.525 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 2.1 p -141.2 117.52 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.214 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.629 HG22 HG23 ' A' ' 90' ' ' ILE . 16.4 t -123.26 124.48 70.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.0 111.3 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.808 ' HG2' HD12 ' A' ' 113' ' ' LEU . 11.9 ttm180 -124.94 116.39 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.589 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.857 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.0 OUTLIER -111.19 156.45 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.792 -179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.031 HD13 HD11 ' A' ' 113' ' ' LEU . 4.6 mm -90.94 95.28 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.739 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.4 tp -84.92 58.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.826 0.822 . . . . 0.0 110.588 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.02 -128.76 8.87 Favored Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 120.113 -1.041 . . . . 0.0 111.872 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.8 -5.17 41.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.193 . . . . 0.0 110.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.542 ' O ' HD22 ' A' ' 113' ' ' LEU . 53.5 mt-10 -128.5 176.47 7.73 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.022 0.439 . . . . 0.0 111.097 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.031 HD11 HD13 ' A' ' 108' ' ' ILE . 1.3 mm? -121.64 141.13 51.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.42 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 114' ' ' VAL . 4.1 p -114.59 107.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.489 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.0 mt-30 -93.43 139.99 30.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.0 112.278 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.581 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.35 113.74 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.443 179.04 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.525 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 5.9 m-85 -117.03 159.46 22.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.649 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.817 HG12 ' HB2' ' A' ' 103' ' ' ASN . 11.6 p -151.16 140.24 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.925 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.833 ' CD2' HD12 ' A' ' 102' ' ' LEU . 8.1 t80 -154.85 104.55 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.066 0.46 . . . . 0.0 110.607 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.39 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.09 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.87 -13.98 0.84 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.861 0.704 . . . . 0.0 114.861 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.939 HG13 ' HG2' ' A' ' 16' ' ' LYS . 9.4 t -107.87 111.76 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.9 0.85 . . . . 0.0 112.299 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -114.52 119.58 37.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.799 178.557 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -122.31 137.67 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.928 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.36 165.59 11.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.445 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.803 ' HD2' HG21 ' A' ' 8' ' ' VAL . 10.7 ttp-105 -162.01 115.1 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.284 -0.566 . . . . 0.0 112.435 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.51 ' CG1' ' CG ' ' A' ' 10' ' ' ARG . 6.5 mm -77.98 138.21 20.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.859 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 36.2 t80 -119.52 156.32 30.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -143.19 155.11 44.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.988 178.06 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.24 151.63 25.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.164 0.507 . . . . 0.0 111.768 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.97 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.675 ' CZ ' HD11 ' A' ' 89' ' ' LEU . 9.1 m-85 -85.73 -47.24 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.79 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.634 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 -173.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.923 0.392 . . . . 0.0 111.195 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -88.94 117.97 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.852 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 14.0 m0 -118.24 121.25 40.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.508 0.67 . . . . 0.0 111.404 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 5.1 pttp -115.81 119.65 36.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.474 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.743 HG11 HD23 ' A' ' 36' ' ' LEU . 4.2 p -65.07 135.23 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.818 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.535 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -81.01 -62.46 1.66 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.478 ' CG ' ' HB ' ' A' ' 127' ' ' ILE . 3.6 ptp180 -135.14 158.42 44.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.021 0.439 . . . . 0.0 111.118 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 33' ' ' HIS . 15.7 m -119.41 147.93 43.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.037 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.21 128.14 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.835 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.465 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 6.3 m-20 59.35 14.59 3.81 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.144 0.497 . . . . 0.0 111.251 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 18' ' ' MET . 2.0 t70 -54.01 -29.82 44.96 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.09 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.87 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.4 OUTLIER -55.1 -42.23 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.519 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.835 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-85 -72.54 -24.54 61.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.024 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.657 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.58 -33.1 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.513 178.718 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.12 -61.47 1.8 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.822 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -64.19 -47.35 80.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 111.35 -179.119 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.834 ' HG2' HD11 ' A' ' 78' ' ' LEU . 1.7 ttp -72.83 -25.05 60.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.99 63.17 2.33 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.747 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.657 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.4 t -106.54 112.42 39.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -53.54 172.08 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.369 0.604 . . . . 0.0 111.66 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -88.62 -33.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.165 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.0 t -48.84 -52.15 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.535 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -30.92 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.584 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 1.9 tmm_? -73.78 -22.02 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.754 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ILE . 11.9 mttt -44.0 -36.28 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.92 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.9 OUTLIER -104.39 -45.53 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.087 0.47 . . . . 0.0 110.486 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -62.77 -14.44 44.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.821 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.582 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -53.68 -45.62 70.38 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 1.5 t-160 177.7 -73.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.8 m-20 -48.93 -49.93 37.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.551 -178.08 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -101.87 61.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.903 0.382 . . . . 0.0 111.675 -178.912 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.743 HD23 HG11 ' A' ' 8' ' ' VAL . 50.1 tp -122.72 115.88 22.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -116.05 116.84 28.61 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.853 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.809 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -108.75 112.73 25.17 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.451 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -103.64 152.99 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.051 0.453 . . . . 0.0 111.741 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.665 HG21 ' HB3' ' A' ' 2' ' ' PHE . 61.5 mt -134.58 131.9 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -124.14 157.05 35.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.773 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.8 114.68 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.341 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -147.88 89.79 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.415 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.81 -139.27 40.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.715 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -80.02 3.22 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.18 0.49 . . . . 0.0 110.875 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.85 136.78 52.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.229 0.538 . . . . 0.0 111.381 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' PHE . 6.2 m-30 -108.83 142.92 38.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.094 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.602 HG23 ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -101.42 120.25 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.465 HG21 ' CD2' ' A' ' 62' ' ' PHE . 18.4 t -98.93 120.05 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.243 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -118.12 111.84 19.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.448 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -97.16 119.13 35.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.007 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -101.91 147.34 26.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.997 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.92 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -149.63 -171.08 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.697 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.706 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -60.97 -68.32 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.025 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.06 -26.82 5.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.376 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -79.12 164.69 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.831 0.348 . . . . 0.0 111.08 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.71 131.6 24.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.417 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 6.9 mt -136.3 157.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.597 ' O ' HG13 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -176.41 160.58 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.678 HG23 ' CE2' ' A' ' 62' ' ' PHE . 2.8 m -162.09 107.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.602 ' CG2' HG23 ' A' ' 48' ' ' THR . 0.9 OUTLIER -64.2 147.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.178 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.678 ' CE2' HG23 ' A' ' 60' ' ' VAL . 24.5 m-85 -143.81 165.41 27.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.673 0.749 . . . . 0.0 112.371 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 3.4 tt0 -149.76 134.48 17.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.211 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.718 HD21 HD12 ' A' ' 84' ' ' LEU . 23.3 mt -59.22 105.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.575 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.65 22.42 7.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.816 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 61.8 t -132.97 147.34 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.0 110.456 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -62.21 145.41 53.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.474 -178.335 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.661 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.97 162.51 21.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.182 178.716 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 78.1 m-20 -142.39 141.83 32.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.013 0.435 . . . . 0.0 111.727 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.295 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.946 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -97.14 128.52 44.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.714 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 5.9 ttm180 -132.99 118.45 18.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.515 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.614 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.5 -119.36 1.53 Allowed Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.578 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.2 p -158.14 176.11 12.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.946 0.403 . . . . 0.0 111.133 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -143.91 127.84 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.129 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.49 150.07 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.981 0.419 . . . . 0.0 111.432 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.718 HD12 HD21 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -127.35 129.31 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.631 179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -129.82 94.45 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.72 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.52 -106.41 1.61 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -109.12 21.04 17.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.713 0.292 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -137.48 138.59 39.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.863 0.364 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.675 HD11 ' CZ ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -117.71 146.2 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.754 HG22 ' HE3' ' A' ' 92' ' ' LYS . 1.6 mp -128.0 95.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 111.811 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 82' ' ' TRP . . . -85.9 163.32 36.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.746 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.754 ' HE3' HG22 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -153.35 155.84 37.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.109 0.481 . . . . 0.0 111.844 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.84 ' HB2' HD22 ' A' ' 102' ' ' LEU . 53.0 m-85 -141.9 171.67 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.935 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -154.91 130.44 9.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.084 177.63 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 4.7 mtp85 -78.19 153.0 32.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.051 0.453 . . . . 0.0 110.899 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.69 -23.67 45.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.327 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -47.44 -35.8 9.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 178.15 40.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.472 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.24 63.02 4.28 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.525 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 40.0 m-20 -74.98 138.29 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 132.41 41.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.434 0.635 . . . . 0.0 111.787 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.946 HD13 ' CD2' ' A' ' 78' ' ' LEU . 5.3 tt -138.52 111.65 7.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.165 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.579 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 4.7 m120 -108.2 144.56 35.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.194 0.521 . . . . 0.0 111.886 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.507 HG21 ' CE2' ' A' ' 117' ' ' TYR . 88.9 m -146.92 128.04 14.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.934 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 90' ' ' ILE . 18.0 t -125.05 122.45 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.326 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.563 ' HG3' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -115.51 116.33 27.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -124.53 131.52 53.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.659 HD13 ' CD1' ' A' ' 113' ' ' LEU . 9.9 mm -61.3 85.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.246 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.1 tp -77.49 116.51 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.55 -126.21 27.78 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.791 -1.195 . . . . 0.0 111.538 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.33 13.79 28.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.903 0.383 . . . . 0.0 110.355 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 23.7 mt-10 -131.64 176.18 8.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.054 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.694 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 6.7 tp -118.9 128.92 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.372 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -103.93 106.76 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -104.33 105.93 16.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.648 -178.745 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.744 HG23 ' HE2' ' A' ' 125' ' ' LYS . 37.1 m -102.86 110.97 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.186 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.538 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 3.2 m-85 -102.86 156.69 17.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.573 HG12 ' HB2' ' A' ' 103' ' ' ASN . 7.9 p -150.5 140.28 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.941 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.645 ' CD2' HD12 ' A' ' 102' ' ' LEU . 7.1 t80 -155.9 118.02 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.468 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 119' ' ' TYR . 5.5 mp0 26.51 88.65 0.01 OUTLIER 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.323 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.61 -3.44 6.3 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.874 -0.679 . . . . 0.0 114.086 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.87 HG13 ' HG2' ' A' ' 16' ' ' LYS . 6.0 t -108.4 145.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.194 0.497 . . . . 0.0 111.435 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 117' ' ' TYR . 5.8 tt0 -156.21 120.79 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -119.81 136.32 54.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.157 0.503 . . . . 0.0 111.181 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.744 ' HE2' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -109.24 128.86 55.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.093 179.515 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.459 ' CG ' HG21 ' A' ' 8' ' ' VAL . 5.9 ttt-85 -121.6 114.74 21.61 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.3 mp -81.09 139.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.852 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 40.5 t80 -124.1 153.92 40.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.535 ' HG2' ' HB2' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -144.57 156.04 43.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.167 177.782 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -108.72 152.12 25.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.161 0.505 . . . . 0.0 112.01 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.202 -0.904 . . . . 0.35 110.892 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.83 0.348 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.628 ' CE1' HD21 ' A' ' 89' ' ' LEU . 2.5 m-85 -74.47 -49.88 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 109.81 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.791 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.71 179.73 0.12 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 111.481 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -88.38 121.38 30.7 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.855 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 18.5 m0 -113.21 126.63 55.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.718 0.771 . . . . 0.0 112.445 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -121.3 114.45 21.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.977 178.429 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.783 HG21 ' CD ' ' A' ' 126' ' ' ARG . 1.9 p -68.49 134.25 30.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.351 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 27.4 t70 -88.99 -69.35 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.036 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' HG3' HD13 ' A' ' 127' ' ' ILE . 9.8 ptt180 -123.05 168.86 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.607 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 10.4 p -142.53 163.1 33.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.313 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.03 127.57 28.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 8.6 m-20 59.2 16.24 4.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 111.136 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.654 ' HE1' ' HE1' ' A' ' 18' ' ' MET . 3.7 t80 -56.37 -40.79 75.12 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -61.38 -32.78 72.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.524 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 1.0 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.9 OUTLIER -48.32 -43.14 32.94 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.525 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.827 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-30 -70.41 -38.82 74.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.154 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.654 ' HE1' ' HE1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -53.77 -32.71 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.957 178.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -87.65 -60.31 2.01 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.747 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.4 OUTLIER -63.38 -20.58 65.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.318 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.6 ttp -106.58 -9.64 16.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.203 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.37 51.56 58.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.612 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.456 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.6 t -90.43 123.92 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.989 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -56.39 148.49 18.89 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.377 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.438 HD13 ' CZ ' ' A' ' 28' ' ' ARG . 6.1 tp -77.59 -31.03 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.76 -47.4 62.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.336 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.61 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.554 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.734 ' HD3' ' HB2' ' A' ' 32' ' ' ALA . 2.2 tmm_? -72.7 -25.12 61.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.273 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.35 -42.51 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.301 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' A' ' 53' ' ' SER . 0.5 OUTLIER -108.15 -12.65 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.699 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -93.22 -15.98 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.734 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -56.97 -48.36 78.56 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.538 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 13.8 p-80 168.67 -38.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 111.662 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.456 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 16.1 m-20 -54.52 -58.23 8.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.042 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -115.63 31.65 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 0.0 111.526 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' ' 31' ' ' ALA . 60.4 tp -84.84 116.37 23.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.1 tppp? -108.84 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.325 0.583 . . . . 0.0 110.187 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.726 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.6 tp -114.96 129.05 56.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.841 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.416 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 80.5 m -120.69 153.98 36.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.089 0.471 . . . . 0.0 111.942 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.743 HD12 ' CE2' ' A' ' 6' ' ' TRP . 65.4 mt -129.18 133.51 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.248 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m -128.49 159.32 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.1 134.59 54.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.03 0.443 . . . . 0.0 111.588 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -168.51 89.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.145 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.84 -136.25 51.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.657 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -86.91 14.26 7.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.276 0.538 . . . . 0.0 110.627 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -129.78 139.9 51.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.132 0.491 . . . . 0.0 111.28 -179.682 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PHE . 8.6 m-30 -110.83 173.23 6.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.781 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -126.47 120.0 28.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.571 0.225 . . . . 0.0 110.412 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 60' ' ' VAL . 4.6 t -94.75 111.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.923 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' H ' ' HB ' ' A' ' 39' ' ' THR . 2.4 mptt -108.23 111.8 23.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.354 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -102.93 150.49 23.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.992 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -139.91 152.98 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.644 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -149.53 -171.06 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.594 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -57.96 -68.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.026 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -117.75 -26.7 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.1 170.23 16.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -141.7 146.02 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' HB ' ' HB3' ' A' ' 51' ' ' GLU . 1.2 mt -150.48 154.99 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.95 171.42 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.7 p -179.59 139.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.0 111.565 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -75.34 161.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.409 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -136.16 150.37 49.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.648 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.698 ' CD ' HG21 ' A' ' 66' ' ' VAL . 36.1 tt0 -148.94 119.51 7.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.755 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 84' ' ' LEU . 21.0 mt -60.45 114.14 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.62 24.6 17.7 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.888 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.698 HG21 ' CD ' ' A' ' 63' ' ' GLU . 21.7 t -135.95 160.57 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 0.0 110.495 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -79.51 141.85 36.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.023 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.5 OUTLIER -81.74 154.16 26.15 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -125.59 132.12 52.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.188 0.518 . . . . 0.0 112.255 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.129 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.846 0.355 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.828 HD21 HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -132.1 131.11 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -131.16 117.88 19.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.236 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -140.95 -117.29 1.36 Allowed Glycine 0 C--O 1.228 -0.254 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.891 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 16.4 p -157.74 175.62 13.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.068 0.461 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.565 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 10.1 t90 -156.73 126.82 6.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.584 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.57 149.32 35.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.0 111.326 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -101.37 132.18 47.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.669 179.688 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -123.49 97.45 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.922 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.16 -108.57 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.426 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.81 20.81 18.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -138.49 158.1 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.628 HD21 ' CE1' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -126.87 138.86 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.752 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 82' ' ' TRP . 0.7 OUTLIER -114.21 138.15 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.086 0.469 . . . . 0.0 111.559 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' A' ' 92' ' ' LYS . . . -124.67 148.68 16.81 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.212 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.563 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -145.26 156.25 43.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.067 0.461 . . . . 0.0 111.442 -178.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.817 ' HB2' HD22 ' A' ' 102' ' ' LEU . 48.2 m-85 -141.85 171.84 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.353 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -156.79 130.06 7.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.884 177.583 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.602 ' HG3' ' OH ' ' A' ' 119' ' ' TYR . 7.0 mmt85 -76.95 147.81 36.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.232 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.21 -22.43 59.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.566 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -50.0 -40.31 44.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.834 0.349 . . . . 0.0 111.185 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -178.12 40.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.594 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.471 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 51.6 64.99 3.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.75 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.54 ' HB2' ' HG3' ' A' ' 95' ' ' ARG . 32.5 m120 -78.35 140.8 38.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.95 127.14 31.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.828 HD13 HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -138.38 111.39 7.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.685 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.75 ' HB2' HG12 ' A' ' 118' ' ' VAL . 6.2 m120 -107.48 152.66 23.92 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.214 0.53 . . . . 0.0 112.18 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.79 117.93 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.857 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.24 129.69 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -132.25 116.5 17.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.183 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 113' ' ' LEU . 14.7 pt-20 -111.26 154.71 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.457 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.047 HD13 HD11 ' A' ' 113' ' ' LEU . 7.4 mm -82.39 87.73 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 111.528 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.4 tp -79.67 117.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.31 -123.79 16.12 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.942 -1.123 . . . . 0.0 111.849 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -102.24 15.63 28.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.968 0.413 . . . . 0.0 110.372 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.544 ' O ' HD22 ' A' ' 113' ' ' LEU . 61.0 mt-10 -132.93 177.97 7.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.374 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.047 HD11 HD13 ' A' ' 108' ' ' ILE . 1.7 mm? -119.73 130.1 54.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.067 0.46 . . . . 0.0 111.627 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.9 p -108.87 107.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.612 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.2 mp0 -96.87 140.52 31.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.142 0.496 . . . . 0.0 112.052 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -133.22 114.36 13.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.665 179.101 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.535 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 2.2 m-85 -113.06 150.82 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.369 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 103' ' ' ASN . 6.3 p -146.61 142.09 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.909 0.385 . . . . 0.0 111.256 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.739 ' CG ' HD12 ' A' ' 102' ' ' LEU . 55.2 t80 -155.72 109.73 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.239 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 119' ' ' TYR . 1.8 pt-20 28.77 90.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.026 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 83.23 -52.25 4.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.996 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 1.0 HG13 ' HG2' ' A' ' 16' ' ' LYS . 42.4 t -77.83 133.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.375 0.607 . . . . 0.0 112.562 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 117' ' ' TYR . 2.1 tt0 -138.65 116.96 11.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.12 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.496 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -120.13 137.3 54.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.078 0.466 . . . . 0.0 111.822 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.854 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.49 164.71 11.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.173 179.459 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.783 ' CD ' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -154.63 119.02 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.571 -178.9 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 127' ' ' ILE . 2.4 mp -83.73 132.25 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.855 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 48.6 t80 -114.3 154.0 28.76 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 85.9 mttt -143.25 162.41 35.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.076 178.162 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -107.57 151.1 26.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.107 0.479 . . . . 0.0 111.7 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.23 -0.89 . . . . 0.35 110.966 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.68 ' CE1' HD11 ' A' ' 89' ' ' LEU . 2.8 m-85 -89.51 -54.68 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -51.13 106.24 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.734 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.71 -177.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 111.389 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.601 HG23 ' HE3' ' A' ' 37' ' ' LYS . 98.9 m -88.85 123.31 33.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.864 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 10.9 m0 -117.12 126.92 53.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 111.804 -178.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 28.0 pttt -120.7 116.06 24.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.887 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.46 HG23 ' CZ ' ' A' ' 126' ' ' ARG . 5.2 p -64.05 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.914 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.91 -52.43 4.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.384 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 4.9 ptt180 -145.67 171.71 14.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.798 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 p -144.11 166.22 25.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.248 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -145.09 126.29 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 5.4 m-20 61.61 15.81 7.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 111.166 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.511 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -56.95 -43.19 81.31 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.25 -32.77 66.91 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.902 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -51.44 -38.74 55.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.539 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.875 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-85 -77.48 -23.97 50.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.206 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.552 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 18.3 mmt -75.58 -27.87 58.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.63 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.18 -60.4 1.99 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.763 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.1 tptp -58.75 -47.25 85.32 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.442 ' HE2' ' O ' ' A' ' 17' ' ' PHE . 12.3 mtm -74.08 -32.44 63.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.672 0.272 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.09 45.81 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.204 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.552 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 14.3 t -87.44 111.05 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.0 110.511 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.484 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.434 ' HA ' ' HB3' ' A' ' 28' ' ' ARG . 1.8 tt -42.98 -39.42 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.354 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -47.88 -53.12 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.829 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -79.86 -30.27 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.197 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.911 ' NE ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -62.81 -33.46 75.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.231 179.562 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -46.17 -43.82 15.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.578 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.864 HD13 ' CB ' ' A' ' 53' ' ' SER . 2.7 mt -92.23 -12.98 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.128 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -92.89 -22.33 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.849 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.911 ' HB2' ' NE ' ' A' ' 28' ' ' ARG . . . -55.14 -48.27 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.447 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.73 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.0 111.718 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -48.55 -58.24 4.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.678 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -106.63 46.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.998 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 31' ' ' ALA . 2.1 tt -111.5 117.14 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.0 111.585 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.601 ' HE3' HG23 ' A' ' 5' ' ' THR . 0.4 OUTLIER -119.6 116.72 26.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.55 178.795 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.773 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.4 tp -105.98 134.53 48.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.794 ' C ' HD13 ' A' ' 40' ' ' ILE . 69.4 m -125.94 151.38 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.133 0.492 . . . . 0.0 112.045 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.794 HD13 ' C ' ' A' ' 39' ' ' THR . 1.8 mm -127.35 133.04 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -127.02 154.23 44.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.771 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -99.77 137.67 37.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.37 92.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.46 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.04 -127.12 24.12 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.046 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.27 21.1 7.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.251 0.525 . . . . 0.0 109.973 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -131.38 167.41 19.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.08 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CE2' HD13 ' A' ' 84' ' ' LEU . 20.3 m-85 -133.44 169.57 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.022 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -125.22 124.16 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.524 179.528 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 60' ' ' VAL . 10.6 t -94.7 118.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 111.025 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -118.93 112.47 19.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.412 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -100.07 148.9 24.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.93 0.395 . . . . 0.0 111.035 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -138.01 141.69 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.864 ' CB ' HD13 ' A' ' 30' ' ' LEU . 48.7 m -149.4 -173.76 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.743 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.64 -13.09 18.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.501 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.72 ' HB2' HD11 ' A' ' 30' ' ' LEU . 8.4 m-85 -108.57 -26.81 10.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.0 111.29 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.595 ' NH2' HD11 ' A' ' 58' ' ' ILE . 7.0 ptt-85 -164.52 -171.01 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -141.93 133.48 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.595 HD11 ' NH2' ' A' ' 56' ' ' ARG . 1.5 mt -116.48 162.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 58' ' ' ILE . 21.1 tt0 -171.21 148.9 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.037 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 8.4 p -165.65 125.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.464 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 10.8 p -86.4 151.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 40.5 m-85 -149.69 167.23 27.02 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.09 0.472 . . . . 0.0 112.037 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 11.3 tt0 -133.83 139.11 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.004 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.94 111.26 1.41 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.507 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.87 23.45 15.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.432 -0.89 . . . . 0.0 111.892 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 87.5 t -131.44 142.06 44.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.25 0.548 . . . . 0.0 110.397 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -54.83 142.16 30.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.469 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -82.49 163.16 21.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.954 178.515 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -142.39 139.51 31.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.0 111.986 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.585 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.268 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.156 0.503 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -160.86 112.73 1.89 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.494 179.294 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 7.9 ttp180 -124.77 121.01 33.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.42 -121.28 1.48 Allowed Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.049 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' LYS . 11.2 p -158.2 174.66 14.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.936 0.398 . . . . 0.0 110.805 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.5 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 6.1 t90 -147.01 127.43 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.57 ' O ' HD12 ' A' ' 90' ' ' ILE . 18.5 m -138.63 122.72 17.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.971 HD21 HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -100.68 131.42 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -123.12 94.45 4.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.777 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.47 -104.2 1.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.398 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.08 21.48 17.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.601 0.239 . . . . 0.0 111.24 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -133.89 137.07 44.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.971 HD23 HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -116.85 125.59 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 83' ' ' SER . 1.9 mp -115.41 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 0.0 111.522 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.512 ' N ' ' HG1' ' A' ' 104' ' ' THR . . . -98.4 162.7 20.74 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.926 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.525 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -152.29 157.47 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.012 0.434 . . . . 0.0 111.384 -179.213 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.66 ' HB3' HD23 ' A' ' 78' ' ' LEU . 39.5 m-85 -143.49 172.02 13.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.979 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -151.68 131.09 12.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.755 177.571 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 119' ' ' TYR . 17.1 mtp180 -72.86 128.4 35.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.869 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -20.07 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.332 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -47.39 -27.09 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.992 0.425 . . . . 0.0 110.999 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 179.17 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.234 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.497 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 133.27 62.02 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.718 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.541 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.2 m-80 -78.25 143.18 37.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.319 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 0.3 OUTLIER -78.34 129.47 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.757 0.789 . . . . 0.0 112.544 -178.433 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.798 HD22 ' HB2' ' A' ' 119' ' ' TYR . 1.7 tm? -134.36 118.84 17.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.865 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.784 ' HB2' HG12 ' A' ' 118' ' ' VAL . 1.2 m120 -113.7 147.47 38.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.0 112.199 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.544 ' HB ' ' CE2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -147.02 117.34 7.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.68 178.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.36 120.72 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.754 ' HB3' HD21 ' A' ' 113' ' ' LEU . 90.1 mtt180 -115.94 127.16 54.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.223 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.2 146.18 52.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.667 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.748 HD13 HD12 ' A' ' 113' ' ' LEU . 7.2 mm -83.78 84.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.191 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.6 tp -79.69 119.28 28.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.81 -123.87 18.17 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.541 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -100.62 11.22 39.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.977 0.418 . . . . 0.0 110.275 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 26.9 mt-10 -128.16 177.16 7.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.735 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.754 HD21 ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -119.64 129.9 54.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.396 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 114' ' ' VAL . 6.7 p -103.36 108.03 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.588 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.8 mt-30 -107.17 119.26 38.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.0 112.029 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.889 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -117.04 117.65 30.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.023 179.165 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.544 ' CE2' ' HB ' ' A' ' 104' ' ' THR . 1.8 m-85 -113.52 156.51 23.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.236 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.784 HG12 ' HB2' ' A' ' 103' ' ' ASN . 15.0 p -151.31 136.48 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.831 0.348 . . . . 0.0 111.012 178.166 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.798 ' HB2' HD22 ' A' ' 102' ' ' LEU . 5.6 t80 -152.43 120.04 6.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.0 110.774 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' TYR . 1.2 mm-40 24.54 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.083 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.44 -4.34 9.25 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.876 -0.678 . . . . 0.0 114.041 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.902 HG13 ' HG2' ' A' ' 16' ' ' LYS . 16.1 t -107.49 144.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.113 0.456 . . . . 0.0 111.559 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.1 tt0 -155.6 113.92 3.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.069 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.42 139.0 53.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 0.0 111.759 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.889 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.63 161.07 15.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.513 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 11.0 ttt-85 -158.01 114.57 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.81 -178.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.457 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 5.1 mm -81.33 149.38 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.864 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 43.9 t80 -131.07 154.44 48.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.468 ' HG2' ' HB2' ' A' ' 9' ' ' ASP . 3.8 pttp -144.0 157.59 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.184 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -107.84 151.16 26.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.215 0.531 . . . . 0.0 111.834 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.968 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.753 0.311 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 108' ' ' ILE . 5.0 m-85 -88.23 -46.84 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -58.13 111.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.533 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.83 -172.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.811 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.496 HG22 ' HE2' ' A' ' 37' ' ' LYS . 56.3 m -89.28 120.14 30.38 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.85 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.4 m0 -116.92 125.07 50.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.0 111.26 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 129' ' ' LYS . 4.1 ptmt -120.99 115.44 23.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.839 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.799 HG21 ' HD2' ' A' ' 126' ' ' ARG . 1.1 p -60.95 129.71 24.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.3 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -84.92 -63.74 1.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.828 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 127' ' ' ILE . 6.6 ptt180 -128.1 169.64 13.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.6 p -144.07 166.0 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.57 131.38 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.652 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER 62.12 13.03 5.44 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.257 0.551 . . . . 0.0 111.253 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -55.7 -46.61 77.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 18' ' ' MET . 8.4 t0 -54.67 -31.71 58.17 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.849 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.92 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -52.46 -40.75 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.223 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.789 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.0 m-85 -74.12 -24.55 59.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.709 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.672 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -71.05 -31.74 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.378 179.283 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.8 -60.55 1.95 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.764 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.5 tptp -56.88 -47.5 80.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' A' ' 17' ' ' PHE . 4.1 mtp -81.92 -28.76 32.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 111.189 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.83 56.48 1.96 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.672 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 4.0 t -97.67 99.37 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -50.19 178.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.492 0.663 . . . . 0.0 112.219 -178.695 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -86.52 -32.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.242 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.471 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 21.7 t -44.26 -56.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.865 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -86.53 -29.09 22.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.561 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.3 tmm_? -73.49 -20.14 60.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.85 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ILE . 3.3 mttt -44.03 -48.65 8.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.0 111.473 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.914 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -101.41 -31.87 10.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -70.46 -13.79 62.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.514 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 33' ' ' HIS . . . -55.07 -47.0 75.48 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.37 -50.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.825 0.345 . . . . 0.0 111.464 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -55.13 29.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.793 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -108.42 44.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 111.279 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 31' ' ' ALA . 8.5 tt -103.82 118.64 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HE2' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -116.52 116.64 28.02 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.323 0.583 . . . . 0.0 110.068 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.843 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.2 tp -106.77 112.02 24.8 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.4 m -99.43 142.01 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.012 0.434 . . . . 0.0 111.817 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.444 HG13 ' CE2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.38 133.99 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.471 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.7 m -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 111.268 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -88.35 121.27 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.644 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' OE1' HG23 ' A' ' 48' ' ' THR . 5.2 tt0 -140.23 41.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.298 0.57 . . . . 0.0 111.107 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.08 -125.23 6.83 Favored Glycine 0 C--N 1.314 -0.666 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -78.88 1.27 24.08 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 117.212 0.506 . . . . 0.0 110.812 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.772 ' CE ' HG21 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -130.28 155.64 45.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.405 0.621 . . . . 0.0 111.625 -179.777 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.76 ' HE2' HD21 ' A' ' 64' ' ' LEU . 43.5 m-85 -111.4 133.8 53.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.673 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.48 HG23 ' OE1' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -87.94 119.88 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.694 HG22 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -108.63 124.97 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.442 . . . . 0.0 111.046 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -122.55 116.07 23.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.1 tt0 -86.23 117.55 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.823 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.401 ' CB ' ' HG2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -105.73 144.79 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.034 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.914 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -149.86 -171.07 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.862 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.668 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -74.93 -59.51 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -115.5 -26.83 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.58 149.81 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.973 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -141.89 136.75 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 2.4 mp -139.7 160.82 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.685 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' N ' HG22 ' A' ' 58' ' ' ILE . 63.3 tt0 -154.21 162.17 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.197 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.658 HG13 HG23 ' A' ' 49' ' ' VAL . 12.4 p -178.36 165.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.791 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.772 HG21 ' CE ' ' A' ' 46' ' ' LYS . 12.3 p -136.97 146.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.46 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.92 130.03 31.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.466 0.651 . . . . 0.0 111.214 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -106.24 138.73 41.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.065 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD21 ' HE2' ' A' ' 47' ' ' PHE . 18.3 mt -60.47 102.0 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.19 15.29 18.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.121 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.427 HG23 ' OE1' ' A' ' 63' ' ' GLU . 39.9 t -132.78 144.41 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.157 0.504 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.1 m -57.51 154.62 10.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.021 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.624 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.276 179.165 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -130.28 118.32 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.967 0.413 . . . . 0.0 111.912 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.302 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.695 0.283 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.756 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -120.26 137.07 54.44 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.18 0.514 . . . . 0.0 111.446 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' LYS . 25.5 ttp85 -110.92 123.86 50.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.124 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.617 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -147.61 -157.03 7.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.271 -1.442 . . . . 0.0 114.55 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.478 ' O ' ' HA2' ' A' ' 91' ' ' GLY . 1.9 p -151.62 138.77 19.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.317 -0.441 . . . . 0.0 109.873 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.458 ' CZ3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -111.05 142.23 43.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.406 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.77 144.59 22.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.622 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.577 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -110.59 127.58 55.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.084 0.469 . . . . 0.0 110.681 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.55 93.97 4.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.235 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.13 -101.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.962 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -115.06 21.47 14.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.607 0.241 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -125.08 147.25 49.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.019 0.438 . . . . 0.0 111.592 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.763 ' C ' HD13 ' A' ' 90' ' ' ILE . 2.6 mm? -107.52 127.74 53.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.424 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -129.26 137.22 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.463 0.649 . . . . 0.0 112.466 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 81' ' ' THR . . . -142.4 153.12 24.26 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.588 ' O ' ' CA ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -146.75 117.31 7.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.618 0.709 . . . . 0.0 111.081 -179.298 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.624 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 96.7 m-85 -101.54 173.02 6.62 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 112.283 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.4 mttt -158.05 131.59 7.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.355 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.41 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 2.1 mtp180 -73.63 141.74 46.52 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.183 0.516 . . . . 0.0 111.006 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -17.05 61.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.547 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -47.86 -57.92 5.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -155.55 24.54 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.434 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.539 ' C ' ' HE2' ' A' ' 94' ' ' LYS . . . 71.53 82.82 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.131 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.75 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 32.1 m120 -112.91 109.77 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.862 0.363 . . . . 0.0 110.267 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.633 ' HA ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -60.0 142.95 53.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.771 0.796 . . . . 0.0 111.918 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.756 HD13 ' CD2' ' A' ' 78' ' ' LEU . 6.1 tt -143.77 126.4 16.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.693 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.787 ' HB2' HG12 ' A' ' 118' ' ' VAL . 6.6 m120 -109.73 150.97 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 111.378 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.455 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.6 p -146.27 117.33 7.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.052 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 t -129.39 114.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.456 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 14.2 ptt180 -130.47 116.52 18.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -111.23 158.56 18.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.8 HD13 ' CD1' ' A' ' 113' ' ' LEU . 8.3 mm -76.01 82.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 109' ' ' ILE . 7.1 tp -76.24 121.05 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.8 -124.89 28.56 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.8 -1.191 . . . . 0.0 111.704 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.37 16.81 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.804 0.335 . . . . 0.0 110.497 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 14.3 mt-10 -138.42 178.37 7.19 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.8 ' CD1' HD13 ' A' ' 108' ' ' ILE . 2.0 tp -113.84 129.77 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.027 0.441 . . . . 0.0 110.949 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.9 p -108.43 108.06 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.68 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -100.93 140.85 34.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.26 0.553 . . . . 0.0 112.291 -178.409 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.826 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.7 111.45 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.504 178.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.1 m-85 -111.41 157.56 20.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.303 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.787 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.5 p -149.63 135.36 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-O 120.669 0.271 . . . . 0.0 111.088 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.665 ' CD1' HD12 ' A' ' 102' ' ' LEU . 39.9 t80 -145.86 116.69 7.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.58 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.4 OUTLIER 22.25 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.199 -179.646 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.19 -6.51 14.26 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.88 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.92 HG13 ' HG2' ' A' ' 16' ' ' LYS . 19.1 t -107.39 145.7 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.947 0.373 . . . . 0.0 111.219 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 5.1 tt0 -156.12 115.8 3.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.268 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.69 135.63 55.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.146 0.498 . . . . 0.0 111.653 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.826 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.88 135.88 49.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.182 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.799 ' HD2' HG21 ' A' ' 8' ' ' VAL . 3.1 ttp180 -131.27 115.53 16.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 127' ' ' ILE . 2.8 mp -82.59 134.66 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.85 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 35.7 t80 -107.65 148.83 28.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 7' ' ' LYS . 13.3 tmtt? -142.15 158.73 43.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.863 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -107.97 148.91 29.05 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.327 0.584 . . . . 0.0 112.078 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.156 -0.929 . . . . 0.35 111.011 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.504 ' CE1' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -75.47 -51.93 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.778 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -55.41 104.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.71 -175.95 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.4 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 91.3 m -88.66 115.91 26.53 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.851 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 16.0 m0 -115.63 126.48 54.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.507 0.67 . . . . 0.0 111.74 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.1 ttpt -118.54 121.73 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.467 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.525 HG23 ' NE ' ' A' ' 126' ' ' ARG . 5.8 p -65.33 135.23 28.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.143 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 16.0 t70 -93.61 -71.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.15 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.544 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 3.9 ptp180 -118.86 165.8 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.63 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.5 p -140.91 156.82 46.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.294 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -136.24 123.99 22.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.413 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 62.57 14.12 6.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.187 0.518 . . . . 0.0 111.229 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -56.61 -49.82 73.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -49.98 -33.33 17.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.788 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.865 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -52.33 -41.4 62.96 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.532 179.335 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.873 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.3 m-85 -72.23 -25.19 61.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.179 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -69.94 -30.08 67.37 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.03 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.28 -60.66 1.94 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.766 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.1 tptp -56.6 -47.41 79.65 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.327 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 5.9 mtm -65.25 -40.07 93.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 110.201 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.24 55.02 2.02 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.448 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 18' ' ' MET . 16.4 m -96.37 156.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.714 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -81.17 -173.36 4.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.814 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.91 -38.9 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.32 -45.91 33.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.504 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -33.62 29.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.992 0.425 . . . . 0.0 110.3 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.533 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -65.12 -33.33 75.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.818 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -54.57 -42.46 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.829 HD13 ' CB ' ' A' ' 53' ' ' SER . 1.4 mt -101.67 -14.75 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.142 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -93.74 -16.14 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 33' ' ' HIS . . . -59.21 -49.35 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 28.0 p-80 160.0 -44.61 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.963 0.411 . . . . 0.0 111.367 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.21 -57.76 8.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.866 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -111.32 66.73 0.63 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 111.318 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' HB3' ' CG1' ' A' ' 8' ' ' VAL . 37.3 tp -128.57 126.58 40.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -118.21 117.34 28.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.451 0.643 . . . . 0.0 109.887 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.849 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -108.21 113.0 25.78 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.312 -179.664 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.4 m -105.8 153.86 21.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.499 . . . . 0.0 112.043 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.473 HD12 ' CE2' ' A' ' 6' ' ' TRP . 50.5 mt -131.89 137.41 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.59 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -131.14 162.47 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -110.49 128.79 55.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.237 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -159.12 89.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.402 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.84 -134.23 43.74 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.832 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -82.83 7.16 15.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.267 0.534 . . . . 0.0 110.771 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -123.29 152.12 41.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.503 0.668 . . . . 0.0 111.904 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.7 ' HE2' HD21 ' A' ' 64' ' ' LEU . 40.9 m-85 -112.1 166.97 10.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.441 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.5 119.34 28.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.046 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.9 119.74 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.953 0.406 . . . . 0.0 111.664 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -117.3 111.48 19.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.1 mt-10 -104.32 127.28 51.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 0.0 111.281 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.3 150.91 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.829 ' CB ' HD13 ' A' ' 30' ' ' LEU . 5.0 m -149.51 -170.96 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.665 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -57.82 -74.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -122.48 15.06 10.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.405 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -114.4 162.89 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -134.27 134.05 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.465 HG21 ' OH ' ' A' ' 70' ' ' TYR . 3.9 mt -148.69 151.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.607 ' O ' HG13 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -179.55 154.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.718 HG23 ' CE2' ' A' ' 62' ' ' PHE . 3.6 m -161.52 106.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 47' ' ' PHE . 6.1 p -63.68 152.06 8.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.718 ' CE2' HG23 ' A' ' 60' ' ' VAL . 33.2 m-85 -147.29 165.35 30.37 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.6 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 6.3 tt0 -139.05 150.87 46.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.717 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.7 HD21 ' HE2' ' A' ' 47' ' ' PHE . 28.6 mt -69.84 104.29 2.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.67 25.3 7.73 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.939 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 64.2 t -131.73 145.81 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.216 0.531 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.698 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.6 m -56.54 162.22 2.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.394 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -101.86 159.99 14.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.454 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -144.21 146.31 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.98 0.419 . . . . 0.0 111.726 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.465 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.723 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.295 0.569 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.749 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -134.68 126.9 30.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.163 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 16.2 mtt180 -134.55 126.74 29.92 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.698 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -143.75 -114.31 0.97 Allowed Glycine 0 C--O 1.226 -0.402 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.86 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 80' ' ' GLY . 15.3 p -158.74 174.92 14.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.438 0.619 . . . . 0.0 111.461 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.597 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -147.91 135.67 20.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.51 179.403 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -152.81 149.34 28.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 0.0 111.63 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.794 ' HG ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -116.57 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.388 179.562 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.7 94.51 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.195 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 63.93 -107.49 1.8 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.626 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -107.72 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.632 0.253 . . . . 0.0 111.457 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.807 ' C ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -138.66 132.74 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.718 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.807 HD13 ' C ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -114.29 142.93 45.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.672 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.04 137.02 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.336 0.589 . . . . 0.0 112.093 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' ' 82' ' ' TRP . . . -135.87 157.59 23.43 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.11 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' O ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -155.57 159.31 39.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.256 0.528 . . . . 0.0 111.846 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.857 ' HB2' HD22 ' A' ' 102' ' ' LEU . 92.5 m-85 -134.39 173.59 11.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.899 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -151.79 137.38 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.539 178.32 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.449 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -81.58 150.1 28.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.0 111.222 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -24.63 48.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.423 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -49.44 -37.03 24.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -178.48 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.462 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 50.61 63.66 4.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.742 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.5 m-80 -76.42 138.74 40.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.98 135.3 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.515 0.674 . . . . 0.0 112.551 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.6 tt -143.88 110.61 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.741 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.766 ' HB2' HG12 ' A' ' 118' ' ' VAL . 2.0 m120 -105.91 153.25 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.161 0.505 . . . . 0.0 111.817 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.511 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.65 116.72 7.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.554 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.12 120.15 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.803 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.561 ' O ' HD22 ' A' ' 89' ' ' LEU . 37.6 mtt180 -115.75 116.21 27.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.798 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.1 mp0 -114.64 135.67 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.409 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.047 HD13 HD21 ' A' ' 113' ' ' LEU . 6.6 mm -82.13 98.03 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.576 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 109' ' ' ILE . 4.9 tp -90.84 55.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.925 0.869 . . . . 0.0 110.218 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.55 -127.13 8.21 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 120.145 -1.026 . . . . 0.0 111.153 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -79.17 -9.64 59.61 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.595 0.236 . . . . 0.0 110.563 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 112' ' ' GLU . 1.6 mp0 -111.69 165.5 11.98 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.794 0.331 . . . . 0.0 110.849 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.047 HD21 HD13 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -121.43 128.93 52.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.108 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.401 HG13 ' OE1' ' A' ' 107' ' ' GLU . 2.1 p -106.27 107.66 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 0.9 OUTLIER -105.69 140.66 38.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.0 112.432 -178.296 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -133.81 112.45 11.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.22 178.872 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.511 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 1.4 m-85 -110.03 156.34 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.333 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.1 p -150.54 134.74 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.719 0.295 . . . . 0.0 111.174 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.711 ' CD1' HD12 ' A' ' 102' ' ' LEU . 33.2 t80 -147.75 115.54 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.564 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.6 OUTLIER 24.95 89.29 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.253 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.94 -8.02 13.25 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.89 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.873 HG12 ' CE1' ' A' ' 17' ' ' PHE . 15.2 t -107.3 143.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.972 0.386 . . . . 0.0 111.51 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 117' ' ' TYR . 3.1 tt0 -154.6 115.7 4.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.164 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -121.26 142.95 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.0 111.802 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.838 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.3 OUTLIER -108.06 164.54 12.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.9 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.525 ' NE ' HG23 ' A' ' 8' ' ' VAL . 1.6 ttt180 -161.5 122.78 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.544 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 3.3 mm -91.79 140.98 15.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.851 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 32.7 t80 -118.93 153.66 34.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 0.7 OUTLIER -143.84 159.28 42.81 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.849 177.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -108.45 151.85 25.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 0.0 111.895 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.239 -0.886 . . . . 0.35 110.991 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.895 0.379 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.43 -45.74 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.45 111.07 0.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.66 179.57 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.949 0.404 . . . . 0.0 111.02 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -88.67 124.0 33.66 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.882 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.3 m0 -115.51 127.05 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 111.952 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.526 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -118.9 117.04 27.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.628 177.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 126' ' ' ARG . 3.6 p -68.57 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.606 -178.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.496 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 8.9 t70 -98.23 -75.12 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.524 ' CG ' HG12 ' A' ' 127' ' ' ILE . 0.6 OUTLIER -117.11 164.18 15.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.0 111.002 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 53.2 p -141.29 164.17 30.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.947 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 127.38 13.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.7 m-20 62.12 15.2 7.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.105 0.479 . . . . 0.0 111.061 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -55.35 -41.01 71.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.93 -0.766 . . . . 0.0 108.93 179.132 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -58.51 -35.3 72.05 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.928 ' CG ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -47.49 -40.32 18.19 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.55 179.128 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.832 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.4 m-85 -76.77 -25.61 53.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.521 ' HG3' ' CD ' ' A' ' 28' ' ' ARG . 13.7 mmt -74.28 -29.75 61.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.535 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -87.2 -60.89 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.732 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -53.42 -47.32 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.47 -27.27 41.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 0.0 111.198 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.4 44.43 5.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.97 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 8.7 t -80.2 126.14 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.764 0.316 . . . . 0.0 110.503 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.6 117.41 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 111.45 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.809 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -49.04 -36.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.187 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.4 -59.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -29.71 61.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.063 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.521 ' CD ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -60.67 -31.34 70.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.161 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.638 ' HE2' HD12 ' A' ' 25' ' ' ILE . 2.4 mttm -54.32 -49.53 69.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.478 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.84 HD11 ' CB ' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -77.41 -20.83 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.178 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -93.03 -13.73 28.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.664 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ARG . . . -54.75 -48.22 72.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 4.1 p-80 162.85 -40.38 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.77 -53.1 56.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -109.6 42.21 1.53 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.328 . . . . 0.0 111.243 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 31' ' ' ALA . 3.4 tm? -111.82 118.83 36.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 0.0 111.234 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -121.72 115.96 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.764 179.353 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.1 tp -105.37 125.76 51.34 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.691 ' O ' HD13 ' A' ' 40' ' ' ILE . 1.8 m -113.25 152.37 29.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 111.803 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -137.14 142.24 37.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.103 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.704 HG23 ' OG1' ' A' ' 48' ' ' THR . 0.3 OUTLIER -149.45 152.73 36.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.229 179.056 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.79 129.87 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.0 111.961 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -156.97 88.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.083 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.37 -143.34 38.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.621 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.09 0.43 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.176 0.488 . . . . 0.0 110.604 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.807 ' HE2' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -109.73 147.97 32.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.404 0.621 . . . . 0.0 111.559 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.881 ' CE2' HD21 ' A' ' 64' ' ' LEU . 27.0 m-85 -111.33 142.83 43.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.011 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.704 ' OG1' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -106.11 119.54 39.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.92 0.39 . . . . 0.0 110.007 179.253 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -114.14 126.59 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 112.47 19.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.902 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 56.7 tt0 -90.96 117.42 29.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -101.62 140.13 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.241 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.589 ' HB2' HD13 ' A' ' 30' ' ' LEU . 84.8 p -149.21 161.44 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.598 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -91.91 15.73 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.561 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.84 ' CB ' HD11 ' A' ' 30' ' ' LEU . 2.4 t80 -119.02 -26.96 5.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.677 0.275 . . . . 0.0 111.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -168.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.24 146.34 27.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' A' ' 51' ' ' GLU . 18.2 mt -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 177.65 175.46 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 61' ' ' VAL . 14.1 p -178.85 161.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.388 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.807 HG22 ' HE2' ' A' ' 46' ' ' LYS . 2.6 t -92.41 146.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CZ ' ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -124.54 145.77 49.38 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.814 179.332 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.62 131.63 14.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.072 0.463 . . . . 0.0 111.173 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.881 HD21 ' CE2' ' A' ' 47' ' ' PHE . 8.5 mt -72.12 105.47 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.754 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.85 14.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.315 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 67' ' ' THR . 22.1 t -129.42 158.55 42.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.034 0.445 . . . . 0.0 110.369 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.7 m -84.35 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.631 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.28 151.71 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.427 179.202 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -122.3 118.69 29.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.005 0.431 . . . . 0.0 111.946 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.33 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.855 0.36 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.827 HD21 HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -115.17 139.35 49.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.453 . . . . 0.0 111.015 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -124.38 122.12 36.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.861 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.636 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.08 -153.37 5.94 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 119.63 -1.271 . . . . 0.0 114.185 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -155.47 136.08 13.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.427 0.291 . . . . 0.0 110.571 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.797 ' CZ3' HD13 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -111.61 127.6 55.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.94 149.2 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.675 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -118.06 128.52 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.146 0.498 . . . . 0.0 111.384 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.62 103.72 8.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.386 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.93 -108.03 2.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.322 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -115.02 20.83 14.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.553 0.216 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -139.81 158.48 44.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.868 0.366 . . . . 0.0 111.201 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.797 HD13 ' CZ3' ' A' ' 82' ' ' TRP . 2.0 pp -127.83 144.85 51.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.741 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.674 HG22 ' HE3' ' A' ' 92' ' ' LYS . 1.1 mp -128.07 124.21 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.0 112.3 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 82' ' ' TRP . . . -116.09 150.34 18.64 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.156 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.674 ' HE3' HG22 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -152.71 124.66 7.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.363 . . . . 0.0 110.471 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.733 ' HB2' HD22 ' A' ' 102' ' ' LEU . 87.2 m-85 -100.22 172.26 7.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.454 0.645 . . . . 0.0 111.926 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.615 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -149.1 123.97 9.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.786 179.168 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.499 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 mtp85 -74.09 140.79 45.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.199 0.524 . . . . 0.0 111.387 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.37 -21.4 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.976 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -51.26 -49.44 61.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.222 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.63 29.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.87 51.13 57.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.592 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.615 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 93.0 m-20 -75.23 142.1 43.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 0.6 OUTLIER -82.52 136.09 34.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.45 0.643 . . . . 0.0 112.288 -178.608 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.827 HD13 HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -137.11 113.14 9.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.965 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.777 ' HB2' HG12 ' A' ' 118' ' ' VAL . 5.0 m-20 -104.7 149.15 25.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.273 0.559 . . . . 0.0 112.064 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.522 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -146.33 117.63 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.478 178.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.6 t -112.94 128.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.669 ' HD3' HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -120.36 115.48 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.829 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.549 ' O ' HD13 ' A' ' 113' ' ' LEU . 3.3 pt-20 -127.76 148.41 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.988 HD13 HD11 ' A' ' 113' ' ' LEU . 7.5 mm -85.92 93.16 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.645 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.516 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 3.1 tp -84.75 115.7 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.09 -126.33 33.15 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.829 -1.177 . . . . 0.0 111.714 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.22 13.52 33.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.924 0.392 . . . . 0.0 110.359 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.518 ' O ' HD22 ' A' ' 113' ' ' LEU . 17.5 mt-10 -132.85 178.56 6.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.283 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.988 HD11 HD13 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -119.05 130.02 55.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 111.847 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 114' ' ' VAL . 7.9 p -104.41 122.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.129 178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 3.4 mt-30 -112.65 138.77 48.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.338 0.589 . . . . 0.0 112.397 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.581 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -138.24 110.82 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.495 179.044 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 6.7 m-85 -111.57 157.42 20.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.194 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.777 HG12 ' HB2' ' A' ' 103' ' ' ASN . 7.2 p -151.31 141.16 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 120.704 0.288 . . . . 0.0 111.24 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.781 ' CG ' HD12 ' A' ' 102' ' ' LEU . 65.6 t80 -155.55 108.39 2.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.729 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.482 ' HG3' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 28.1 89.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.402 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 79.92 -31.58 2.26 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.784 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.928 HG13 ' CG ' ' A' ' 16' ' ' LYS . 12.3 t -83.06 146.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 0.0 111.985 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 3.8 tt0 -162.07 115.58 1.81 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.453 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -118.87 135.8 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.169 0.509 . . . . 0.0 111.475 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -106.83 158.16 17.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.654 ' HD3' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -162.78 122.85 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.558 -0.857 . . . . 0.0 113.051 -178.935 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 10' ' ' ARG . 2.2 mm -89.95 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.882 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 13.7 t80 -130.63 155.39 46.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -143.59 161.98 37.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.203 177.532 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -109.06 151.55 26.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.125 0.488 . . . . 0.0 111.738 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.274 -0.87 . . . . 0.35 110.963 179.886 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.634 ' CE1' HD23 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -71.4 -54.99 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -52.74 104.38 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.808 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.03 -178.62 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.17 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' CE ' ' A' ' 37' ' ' LYS . 96.0 m -88.88 116.76 27.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.871 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.7 m0 -113.73 130.71 56.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.488 0.661 . . . . 0.0 111.736 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.524 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.4 pttt -117.84 123.96 47.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.358 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.763 HG23 ' HD3' ' A' ' 126' ' ' ARG . 1.8 p -72.81 131.27 35.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.114 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.1 t70 -88.31 -61.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 127' ' ' ILE . 0.1 OUTLIER -137.96 160.25 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.878 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.734 ' HG ' ' HD2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -142.78 137.52 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.183 0.516 . . . . 0.0 111.101 179.376 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HG3' ' CB ' ' A' ' 125' ' ' LYS . 3.8 pt-20 -117.38 127.23 53.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.447 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 3.6 m-20 68.1 8.57 6.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.734 ' HD2' ' HG ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -56.18 -45.88 79.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.24 -36.11 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.247 0.546 . . . . 0.0 109.727 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.948 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -47.96 -39.53 19.62 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.745 179.077 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.892 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.8 m-85 -73.6 -35.67 65.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.839 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.656 ' CE ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -71.15 -21.78 62.14 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.865 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -85.8 -59.86 2.18 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.992 -178.085 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.82 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.0 tptp -64.2 -38.9 92.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.735 0.302 . . . . 0.0 111.123 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.55 ' SD ' HD11 ' A' ' 102' ' ' LEU . 4.6 mtp -85.01 -17.63 36.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.071 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.78 7.08 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.237 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.656 HG21 ' CE ' ' A' ' 18' ' ' MET . 73.0 t -81.65 130.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.838 0.352 . . . . 0.0 110.915 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 29.1 t30 -43.67 162.28 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.372 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 26' ' ' VAL . 4.0 tp -86.93 -45.86 16.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.227 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' N ' HG23 ' A' ' 25' ' ' ILE . 17.4 t -51.3 -49.32 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -76.8 -32.22 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.532 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 1.2 tmm_? -73.69 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.227 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB3' HD23 ' A' ' 30' ' ' LEU . 1.7 tptp -44.54 -58.47 2.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.762 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' A' ' 53' ' ' SER . 0.3 OUTLIER -94.37 -31.72 13.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.134 0.492 . . . . 0.0 110.484 -179.67 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.817 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -69.14 -14.0 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.037 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.502 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -54.84 -45.97 74.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.2 p-80 163.54 -37.37 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' OD1' ' ND2' ' A' ' 35' ' ' ASN . 9.9 t70 -67.09 -50.99 59.79 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.49 ' N ' ' ND2' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -121.93 79.77 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.926 0.393 . . . . 0.0 111.69 -178.9 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.817 HD13 ' HA ' ' A' ' 31' ' ' ALA . 14.2 tp -135.18 141.01 45.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.489 ' CE ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -128.22 118.58 23.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.046 179.631 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.714 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 2.1 tp -104.86 134.48 47.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.189 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.599 ' O ' HG12 ' A' ' 49' ' ' VAL . 87.6 m -123.65 161.11 25.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.0 111.688 -178.308 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 2' ' ' PHE . 46.5 mt -138.81 146.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.022 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -136.82 163.8 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -119.47 124.53 46.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -159.02 92.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.579 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.74 48.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.897 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 5.56 21.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.004 0.402 . . . . 0.0 110.79 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.765 ' HE2' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.3 144.52 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 111.514 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 5.5 m-30 -111.57 165.92 11.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.807 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.815 HG23 HG23 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -125.29 119.65 29.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.442 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -104.71 118.96 52.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.958 0.408 . . . . 0.0 110.937 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' H ' ' HB ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -107.98 119.31 39.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.885 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 7.0 mt-10 -107.36 117.82 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -132.55 143.22 49.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.0 111.279 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.734 ' HB2' HD12 ' A' ' 30' ' ' LEU . 48.8 m -149.85 146.94 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.722 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 38.05 -93.69 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.865 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -122.96 -27.05 4.29 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.672 0.272 . . . . 0.0 111.301 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -57.43 173.2 0.28 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.895 0.379 . . . . 0.0 111.191 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -141.67 131.38 24.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.408 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 7.3 mt -142.86 152.98 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.796 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 49' ' ' VAL . 7.2 p -172.94 97.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.742 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.815 HG23 HG23 ' A' ' 48' ' ' THR . 1.9 p -60.04 155.31 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 17.3 m-85 -153.55 164.99 37.28 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.296 -0.561 . . . . 0.0 112.359 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 36.9 tt0 -127.72 152.49 47.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.028 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 33.4 mt -77.37 105.58 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.43 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.57 22.98 9.78 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.912 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 54.9 t -130.08 139.56 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.259 0.552 . . . . 0.0 110.446 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -50.21 145.53 5.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.512 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.649 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -83.02 160.62 21.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.104 178.836 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -142.64 140.54 31.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 111.847 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.19 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.783 0.325 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.846 HD21 HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.67 124.93 24.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 3.9 mtt85 -133.0 121.39 22.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.254 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.632 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.02 -111.14 0.84 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.345 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.9 p -158.35 175.62 13.49 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.02 0.438 . . . . 0.0 111.255 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 2.3 t90 -155.91 127.67 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.304 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.58 149.49 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -104.5 133.64 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.732 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.45 94.42 4.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.06 -109.6 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.93 20.87 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.741 0.305 . . . . 0.0 111.032 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 156.79 48.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.695 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.815 HD11 ' NE ' ' A' ' 106' ' ' ARG . 4.1 pp -129.57 123.09 30.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.656 HD12 HG13 ' A' ' 105' ' ' VAL . 1.9 mm -100.67 137.48 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.259 0.552 . . . . 0.0 111.668 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -136.73 152.5 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.092 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 157.79 41.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 0.0 111.23 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.885 ' HB2' HD22 ' A' ' 102' ' ' LEU . 34.1 m-85 -136.29 173.27 11.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.666 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -148.19 132.45 17.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.994 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.429 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 14.7 mtp180 -79.25 151.96 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.178 0.513 . . . . 0.0 111.327 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -23.8 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.22 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.63 -36.25 10.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.93 0.395 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.97 39.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.497 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . 0.504 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.34 65.68 2.63 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.587 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.638 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 54.2 m-80 -83.43 135.33 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.372 . . . . 0.0 110.169 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 28.5 mt-10 -69.99 136.13 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.0 112.027 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.885 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.1 tt -142.6 111.22 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.829 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.786 ' HB2' HG12 ' A' ' 118' ' ' VAL . 3.2 m120 -104.32 150.45 24.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.322 0.582 . . . . 0.0 112.24 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.51 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -146.32 117.06 7.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.248 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' VAL . . . . . 0.656 HG13 HD12 ' A' ' 90' ' ' ILE . 22.0 t -119.49 125.3 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.815 ' NE ' HD11 ' A' ' 89' ' ' LEU . 36.0 mtt180 -107.73 115.64 30.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.657 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.45 143.29 45.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 0.85 HD13 HD12 ' A' ' 113' ' ' LEU . 9.2 mm -88.86 94.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.835 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.0 tp -86.26 58.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.824 0.821 . . . . 0.0 110.519 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.39 -129.42 9.28 Favored Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.137 -1.03 . . . . 0.0 111.733 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.96 -4.67 42.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.546 0.212 . . . . 0.0 110.83 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 42.2 mt-10 -124.83 173.97 8.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.995 0.426 . . . . 0.0 111.144 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.85 HD12 HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -121.11 130.07 53.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.076 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -105.25 107.33 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.487 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -95.55 140.6 30.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.204 -178.405 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.749 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -138.13 109.64 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.766 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.55 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 4.9 m-85 -109.51 159.84 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.173 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.786 HG12 ' HB2' ' A' ' 103' ' ' ASN . 12.3 p -151.52 139.74 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.652 0.263 . . . . 0.0 110.904 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.79 ' CD1' HD12 ' A' ' 102' ' ' LEU . 39.7 t80 -155.03 114.43 3.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 0.0 110.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.44 ' CG ' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 26.08 89.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.339 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 72.85 -6.54 12.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.737 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.948 HG13 ' HG2' ' A' ' 16' ' ' LYS . 13.2 t -107.79 143.8 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.0 111.667 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.467 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.0 tt0 -155.37 114.17 3.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.715 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -120.22 142.15 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.785 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.749 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.81 164.61 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.763 ' HD3' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -159.43 124.57 4.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.917 -0.713 . . . . 0.0 112.812 -178.612 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.501 HG12 ' HG3' ' A' ' 10' ' ' ARG . 5.0 mm -85.39 148.69 4.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.733 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.871 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 50.2 t80 -130.18 153.9 48.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 32.1 mmtm -143.49 157.91 44.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.058 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -108.07 151.15 26.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.05 0.453 . . . . 0.0 111.664 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.206 -0.902 . . . . 0.35 110.923 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' A' ' 84' ' ' LEU . 2.1 m-85 -89.43 -49.61 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 107.24 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.97 178.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.963 0.411 . . . . 0.0 111.346 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.793 HG22 ' HE2' ' A' ' 37' ' ' LYS . 77.6 m -88.64 125.0 34.62 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.853 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 19.4 m0 -116.73 127.84 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 112.895 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 1.6 pttt -116.65 122.55 44.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.198 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.712 HG23 ' HD3' ' A' ' 126' ' ' ARG . 8.5 p -67.02 130.82 32.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.943 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.0 t70 -89.78 -80.18 0.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.154 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.582 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.3 ptt180 -113.75 156.21 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.044 0.45 . . . . 0.0 110.755 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 p -130.23 144.3 51.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -137.01 132.4 34.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.376 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 0.9 OUTLIER 62.49 11.87 4.98 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.464 0.65 . . . . 0.0 111.002 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.547 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' MET . 5.1 m-20 -54.2 -26.8 30.23 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.726 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.946 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -55.7 -44.34 77.31 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.306 179.159 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PHE . . . . . 0.778 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.3 m-30 -70.65 -25.11 62.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.961 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.643 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.4 -30.77 70.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.34 178.91 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.79 -60.02 2.07 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' CG ' HG23 ' A' ' 122' ' ' VAL . 0.6 OUTLIER -50.33 -47.99 55.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 111.455 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.724 ' SD ' HG22 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -87.47 -27.66 22.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 -179.678 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.61 54.47 2.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.084 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.724 HG22 ' SD ' ' A' ' 21' ' ' MET . 6.6 t -87.52 122.05 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 4.5 m-80 -63.17 178.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.274 0.559 . . . . 0.0 111.516 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.0 tt -90.76 -31.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -50.7 -51.04 21.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -85.62 -31.48 22.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.573 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.5 tmm_? -74.75 -20.85 59.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.774 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ILE . 5.5 mttm -47.21 -46.09 23.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.518 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -99.79 -35.13 9.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 110.434 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -68.75 -15.08 63.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.791 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -56.1 -47.78 77.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 16.0 p-80 164.24 -48.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.88 0.371 . . . . 0.0 111.628 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.47 -55.82 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.916 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -111.9 68.94 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.921 0.391 . . . . 0.0 111.305 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 31' ' ' ALA . 25.2 tp -134.27 120.06 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.793 ' HE2' HG22 ' A' ' 5' ' ' THR . 1.1 tmtp? -116.49 115.96 26.76 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.961 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.815 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 5.6 tp -108.15 123.33 48.57 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.483 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 43.5 m -118.48 153.6 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 112.251 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.737 HD12 ' CE2' ' A' ' 6' ' ' TRP . 41.5 mt -131.81 119.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -111.33 176.09 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.818 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' H ' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -113.7 123.55 50.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.454 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -154.37 88.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.539 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.52 -138.14 37.43 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.971 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.8 1.12 21.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.104 0.452 . . . . 0.0 110.833 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -113.68 149.21 35.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.323 0.582 . . . . 0.0 111.677 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' PHE . 20.9 m-85 -109.03 132.72 53.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.488 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 128.54 37.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.695 0.283 . . . . 0.0 110.538 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.923 HG21 ' CE2' ' A' ' 62' ' ' PHE . 10.2 t -106.92 124.96 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 111.668 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.483 ' H ' ' HB ' ' A' ' 39' ' ' THR . 11.1 ttmt -117.86 112.24 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.225 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.583 ' OE2' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -98.48 142.76 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.0 111.116 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -129.86 143.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.818 ' HB3' HD22 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -147.28 -178.52 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.795 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.89 -16.71 15.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.587 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.862 ' HB2' HD21 ' A' ' 30' ' ' LEU . 12.1 m-85 -111.09 -26.68 9.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.664 0.269 . . . . 0.0 111.306 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.18 -166.85 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 111.047 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -135.37 159.23 42.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.546 HG21 ' OH ' ' A' ' 70' ' ' TYR . 1.7 mt -150.11 162.33 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.781 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -175.71 169.98 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.361 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.612 HG13 ' CE1' ' A' ' 62' ' ' PHE . 4.2 p 178.07 125.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.21 142.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.863 0.363 . . . . 0.0 110.292 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' PHE . . . . . 0.923 ' CE2' HG21 ' A' ' 49' ' ' VAL . 21.4 m-30 -122.14 154.04 37.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.56 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.661 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -149.93 154.36 38.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.794 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -81.88 99.11 8.86 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.651 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.42 24.82 5.21 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.193 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 63' ' ' GLU . 1.4 p -122.31 161.28 23.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.032 0.444 . . . . 0.0 110.403 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -87.45 143.62 27.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.552 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.647 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -82.42 156.12 24.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.87 -179.585 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -142.6 118.83 10.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TYR . . . . . 0.546 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.287 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.231 0.119 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.877 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -102.76 118.21 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.0 111.374 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ARG . . . . . 0.822 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 1.6 ttp180 -124.85 117.72 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLY . . . . . 0.636 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.27 -126.17 2.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.176 -1.011 . . . . 0.0 112.67 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 80' ' ' GLY . 18.6 p -157.72 175.38 13.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.199 0.523 . . . . 0.0 111.409 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' TRP . . . . . 0.801 ' CZ2' HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -145.83 127.96 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.471 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 90' ' ' ILE . 13.6 m -138.43 149.54 45.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.0 111.344 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -121.46 124.99 45.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.609 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -114.04 94.31 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.767 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.39 -101.5 0.29 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.88 21.07 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.72 0.295 . . . . 0.0 110.794 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -124.39 148.84 47.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.939 0.4 . . . . 0.0 111.084 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . 0.801 HD11 ' CZ2' ' A' ' 82' ' ' TRP . 1.7 tm? -129.7 128.48 42.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -126.53 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.228 0.537 . . . . 0.0 111.957 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLY . . . . . 0.516 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -130.69 156.61 21.75 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.102 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -152.05 158.9 43.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.169 0.484 . . . . 0.0 111.719 -178.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PHE . . . . . 0.647 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 52.2 m-85 -141.69 170.6 15.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.872 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.822 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.62 124.1 8.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.137 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.2 mtp180 -76.25 144.9 40.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.261 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -21.76 43.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.7 -38.67 48.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.082 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.79 31.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.6 36.99 66.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.63 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 83.2 m-20 -63.48 136.24 57.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 8.7 mm-40 -83.21 149.36 26.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 0.0 111.702 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.877 HD13 ' CD2' ' A' ' 78' ' ' LEU . 4.3 tt -143.83 111.92 6.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.467 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.719 ' HB2' HG12 ' A' ' 118' ' ' VAL . 3.8 m120 -102.94 150.6 23.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.364 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' THR . . . . . 0.443 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -146.04 117.55 8.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.486 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.59 118.49 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.539 ' HD3' HD12 ' A' ' 113' ' ' LEU . 3.5 ttm180 -114.17 116.26 28.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.22 137.38 52.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.597 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 113' ' ' LEU . 8.4 mm -75.1 83.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.5 tp -75.42 118.53 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 48.98 -121.13 7.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.892 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 15.91 27.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.445 . . . . 0.0 110.261 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLU . . . . . 0.524 ' O ' HD22 ' A' ' 113' ' ' LEU . 26.0 mt-10 -132.8 177.79 7.37 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.421 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 1.004 HD11 HD13 ' A' ' 108' ' ' ILE . 2.2 mm? -119.76 130.35 54.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.063 0.459 . . . . 0.0 111.864 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 114' ' ' VAL . 6.3 p -105.53 107.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.348 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.2 mt-30 -94.18 138.89 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.191 0.519 . . . . 0.0 112.209 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' THR . . . . . 0.856 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.93 114.35 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.747 179.032 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 117' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.3 m-85 -115.95 156.51 26.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.494 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' VAL . . . . . 0.719 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.9 p -150.98 129.76 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 120.671 0.272 . . . . 0.0 111.511 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' TYR . . . . . 0.605 ' HB2' HD12 ' A' ' 102' ' ' LEU . 43.1 t80 -139.94 116.16 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.471 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 9.6 mm-40 25.03 89.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.998 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.2 -36.99 2.87 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.676 -0.773 . . . . 0.0 114.65 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.946 HG13 ' HG2' ' A' ' 16' ' ' LYS . 3.2 t -95.67 144.26 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.491 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 3.7 tt0 -140.9 117.59 10.96 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.314 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -120.4 136.08 54.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.0 111.525 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.856 ' HG3' HG23 ' A' ' 116' ' ' THR . 4.3 mtmt -108.04 164.81 11.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.489 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.712 ' HD3' HG23 ' A' ' 8' ' ' VAL . 4.6 ttm180 -159.41 116.22 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.188 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ILE . . . . . 0.582 HG12 ' HG3' ' A' ' 10' ' ' ARG . 3.7 mm -80.87 138.08 20.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' PHE . . . . . 0.853 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 29.9 t80 -117.89 153.9 32.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.497 0.665 . . . . 0.0 112.764 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 3.5 mmmm -143.01 161.87 36.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.076 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 151.72 22.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.171 0.51 . . . . 0.0 111.939 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.185 -0.912 . . . . 0.35 110.953 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.868 0.366 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.896 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 1.9 m-85 -89.5 -48.86 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.47 110.84 0.61 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.4 178.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.409 . . . . 0.0 111.124 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.2 m -88.79 121.0 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.874 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 19.3 m0 -114.46 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.512 0.672 . . . . 0.0 112.091 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.532 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -120.53 112.98 19.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.255 178.948 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.839 HG21 ' HD2' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -64.2 139.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.098 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -100.84 -73.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.222 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.592 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.1 ptp85 -118.39 161.82 19.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 12.7 p -139.04 161.97 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -138.99 129.64 26.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.676 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 5.8 m-20 59.6 16.59 5.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.124 0.488 . . . . 0.0 111.19 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 9.4 t80 -56.74 -44.49 81.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 18' ' ' MET . 24.6 t0 -57.7 -30.63 65.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.616 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.999 ' HG2' HG13 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -51.97 -42.72 63.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.493 179.238 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.899 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.1 m-85 -71.09 -30.4 66.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.784 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.731 ' HE3' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -64.94 -32.05 73.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.181 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -87.75 -60.7 1.9 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.81 ' HB2' HG21 ' A' ' 122' ' ' VAL . 2.0 tptp -58.36 -38.19 76.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.0 111.36 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.474 ' HG2' ' CD2' ' A' ' 119' ' ' TYR . 4.9 mtm -90.08 -17.54 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.959 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.51 50.15 21.86 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.937 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.78 HG22 HG21 ' A' ' 76' ' ' THR . 5.7 t -87.18 125.66 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.789 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.606 HD21 HG23 ' A' ' 26' ' ' VAL . 7.0 t-20 -50.34 156.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.183 0.516 . . . . 0.0 111.236 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.454 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 14.4 tt -88.72 -40.21 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.242 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 HD21 ' A' ' 24' ' ' ASN . 22.5 t -52.84 -44.16 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.209 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -32.36 45.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.185 0.517 . . . . 0.0 109.953 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.2 tmm_? -73.24 -20.2 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.364 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -42.09 -56.43 2.85 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.613 HD13 ' H ' ' A' ' 54' ' ' ALA . 11.7 mt -98.22 -21.98 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.056 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.789 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -78.85 -14.67 59.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.576 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . . . -55.84 -48.24 75.83 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 6.3 p-80 165.26 -39.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 111.548 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 5.4 p30 -54.54 -58.06 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.878 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.53 63.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.967 0.413 . . . . 0.0 111.022 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 31' ' ' ALA . 3.5 tm? -120.83 127.07 51.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.5 tppt? -115.52 119.98 37.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.872 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.874 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 4.9 tp -112.22 111.75 22.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.376 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.425 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 58.5 m -100.66 144.89 29.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.932 0.396 . . . . 0.0 111.519 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.695 HD12 ' CE2' ' A' ' 6' ' ' TRP . 77.3 mt -122.4 125.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.203 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.65 66.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.167 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 13.1 mt-30 -51.51 119.58 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.77 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.81 100.97 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.03 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.77 -128.87 45.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.691 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.69 15.11 8.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 117.288 0.544 . . . . 0.0 110.646 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -138.16 137.68 37.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.234 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' PHE . 10.6 m-30 -112.07 132.43 54.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.71 137.92 31.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.623 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.771 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 18.7 t -119.56 111.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.989 0.423 . . . . 0.0 111.514 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' H ' ' HB ' ' A' ' 39' ' ' THR . 16.8 tptm -107.01 111.79 24.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.109 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.9 mt-10 -96.9 134.1 40.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.071 0.462 . . . . 0.0 111.382 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -116.14 140.07 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.597 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.5 171.53 16.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.781 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' H ' HD13 ' A' ' 30' ' ' LEU . . . -51.71 -69.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.259 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.52 -26.69 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 153.94 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 111.008 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.52 147.78 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 51' ' ' GLU . 3.3 mt -146.2 155.41 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 1.5 tt0 -169.41 144.22 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.838 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 62' ' ' PHE . 5.6 p -156.79 121.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.301 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.499 ' HB ' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -75.73 150.39 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 49' ' ' VAL . 21.6 m-30 -124.89 151.24 45.6 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 120.821 0.343 . . . . 0.0 110.487 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 19.2 tt0 -149.37 118.39 6.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.466 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 83' ' ' SER . 44.5 mt -60.03 107.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.0 110.742 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.26 25.55 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.967 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 67' ' ' THR . 48.5 t -136.54 160.84 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.379 . . . . 0.0 110.412 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.66 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -84.07 148.3 26.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.221 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.585 ' CE1' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -83.28 153.82 24.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.806 179.16 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -136.55 126.59 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.0 111.436 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.452 ' CE1' ' C15' ' A' ' 201' ' ' KTR . 0.1 OUTLIER -154.57 39.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -70.68 113.36 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tp -142.38 97.36 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.28 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -30.64 67.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.7 -77.53 0.29 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.78 HG21 HG22 ' A' ' 23' ' ' VAL . 12.6 t -158.39 165.34 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 111.284 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -126.46 121.69 33.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.828 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.82 124.41 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.956 0.408 . . . . 0.0 111.242 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.803 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -128.1 125.13 38.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.921 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.66 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -146.03 -120.17 1.27 Allowed Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.01 -1.09 . . . . 0.0 112.815 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.3 p -158.02 175.45 13.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.695 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -152.29 128.19 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 179.47 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.416 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -147.1 149.25 32.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -119.47 129.11 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -115.55 94.52 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.75 -103.77 1.7 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.223 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -114.53 20.98 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.638 0.256 . . . . 0.0 111.219 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -134.3 142.68 47.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 111.218 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.896 HD23 ' CZ ' ' A' ' 2' ' ' PHE . 3.8 pp -116.3 139.48 50.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.848 HG22 ' HE3' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -128.54 95.73 2.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 111.845 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 104' ' ' THR . . . -85.17 167.75 41.91 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.938 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.848 ' HE3' HG22 ' A' ' 90' ' ' ILE . 1.0 OUTLIER -154.88 158.64 39.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.026 0.441 . . . . 0.0 111.81 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.664 ' HB3' HD23 ' A' ' 78' ' ' LEU . 59.1 m-85 -144.88 171.45 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.984 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.803 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -153.71 127.31 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.195 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.478 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -77.1 145.69 37.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.026 0.441 . . . . 0.0 111.095 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.96 -20.27 49.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.981 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -50.69 -49.79 56.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -155.72 30.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.6 49.85 67.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.633 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 78.2 m-20 -73.73 137.46 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.29 139.46 33.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.0 111.832 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.828 HD13 ' CD2' ' A' ' 78' ' ' LEU . 4.5 tt -135.5 127.47 29.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.808 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.746 ' HB2' HG12 ' A' ' 118' ' ' VAL . 2.0 m120 -121.31 148.63 44.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.932 0.396 . . . . 0.0 111.663 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 91' ' ' GLY . 4.7 t -146.81 128.39 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.692 HG22 HG23 ' A' ' 90' ' ' ILE . 21.4 t -125.27 114.82 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.638 ' CG ' HD11 ' A' ' 89' ' ' LEU . 28.5 mtt180 -105.93 116.36 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.876 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.0 OUTLIER -113.18 155.42 25.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.72 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 113' ' ' LEU . 4.7 mm -91.32 93.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.538 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.843 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.1 tp -83.75 59.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.803 0.811 . . . . 0.0 110.717 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.69 -127.95 8.41 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 120.034 -1.079 . . . . 0.0 111.977 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.03 -4.3 40.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.751 -0.224 . . . . 0.0 111.149 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HD22 ' A' ' 113' ' ' LEU . 30.7 mt-10 -128.5 175.63 8.38 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.027 0.441 . . . . 0.0 111.168 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 108' ' ' ILE . 1.7 mm? -121.35 130.5 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.188 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.7 p -105.24 108.02 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.783 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 6.1 mt-30 -98.08 139.94 33.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.203 0.525 . . . . 0.0 112.089 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.784 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.08 114.15 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.711 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -114.31 149.7 35.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.746 HG12 ' HB2' ' A' ' 103' ' ' ASN . 10.0 p -139.29 143.21 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.0 110.616 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.539 ' CG ' HD12 ' A' ' 102' ' ' LEU . 68.4 t80 -155.34 104.02 2.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.072 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.9 OUTLIER 26.08 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.222 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 78.52 -19.57 4.78 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.928 -0.653 . . . . 0.0 114.292 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.999 HG13 ' HG2' ' A' ' 16' ' ' LYS . 54.1 t -107.18 108.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.388 0.594 . . . . 0.0 112.472 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.2 OUTLIER -115.96 117.76 31.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.75 178.371 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.518 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -119.49 135.75 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 111.071 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.784 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.12 164.83 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.724 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.839 ' HD2' HG21 ' A' ' 8' ' ' VAL . 7.4 ttp85 -159.96 114.43 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.102 -0.639 . . . . 0.0 112.622 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.592 HG12 ' HG3' ' A' ' 10' ' ' ARG . 4.0 mm -80.78 138.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.859 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 33.5 t80 -117.43 155.75 29.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 38.4 mttm -142.77 161.38 38.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.197 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -108.71 151.55 26.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.494 . . . . 0.0 111.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.224 -0.893 . . . . 0.35 110.941 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' KTR . . . . . 0.452 ' C15' ' CE1' ' A' ' 70' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.872 0.368 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.593 ' CE1' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -89.48 -55.22 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.3 -175.78 0.15 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.905 0.383 . . . . 0.0 111.3 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -88.95 116.62 27.37 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.859 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.5 m0 -114.37 125.89 54.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.689 0.757 . . . . 0.0 112.177 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.528 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -116.65 123.61 47.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.87 178.185 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.803 HG21 ' HD2' ' A' ' 126' ' ' ARG . 2.6 p -72.99 135.63 27.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.392 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 32.4 t70 -95.04 -75.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' CG ' ' CG1' ' A' ' 127' ' ' ILE . 0.0 OUTLIER -113.89 155.14 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.694 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 93.3 p -130.26 153.18 48.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.012 0.434 . . . . 0.0 111.094 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.72 123.71 24.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.734 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.521 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 13.3 m-20 60.86 14.34 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.594 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.2 OUTLIER -56.61 -43.72 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 18' ' ' MET . 3.6 t70 -56.26 -31.33 63.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.519 178.104 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.939 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -53.7 -43.66 69.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.473 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.899 ' CE1' HG12 ' A' ' 122' ' ' VAL . 1.9 m-85 -72.18 -23.55 61.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.627 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.617 ' CG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.38 -36.35 74.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.666 178.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.61 -60.94 1.84 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.833 ' HB2' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -52.85 -47.25 67.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.69 0.281 . . . . 0.0 111.265 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.772 ' SD ' HD11 ' A' ' 78' ' ' LEU . 3.5 tmm? -77.16 -28.41 54.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.14 72.03 0.99 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.536 HG12 ' SD ' ' A' ' 21' ' ' MET . 5.9 m -97.04 -178.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.87 120.48 40.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.82 ' O ' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -53.69 -31.81 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.511 HG12 HH22 ' A' ' 56' ' ' ARG . 21.3 t -50.82 -49.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.799 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -32.2 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.0 110.676 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.636 ' HD3' ' HB2' ' A' ' 32' ' ' ALA . 2.5 tmm_? -63.87 -21.61 66.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.199 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.72 ' HE2' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -48.48 -39.83 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 111.177 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' CB ' ' A' ' 53' ' ' SER . 2.1 mt -107.9 -13.82 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.647 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -93.28 -14.43 26.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.719 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -55.62 -47.36 76.7 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.7 p-80 160.11 -38.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 111.414 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.59 -57.88 10.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.676 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -116.15 49.14 1.15 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.0 111.147 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 31' ' ' ALA . 2.8 tm? -102.17 122.78 44.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 1.9 tppp? -114.32 116.76 29.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.093 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.734 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.7 tp -111.26 128.78 56.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.156 -0.929 . . . . 0.0 108.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' HG12 ' A' ' 49' ' ' VAL . 90.3 m -124.41 161.44 25.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.949 0.404 . . . . 0.0 111.645 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.492 HD12 ' CE2' ' A' ' 6' ' ' TRP . 43.0 mt -139.15 128.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.322 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.542 HG22 ' H ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -122.15 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.964 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.542 ' H ' HG22 ' A' ' 41' ' ' THR . 1.8 tm0? -138.13 129.69 27.92 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -155.31 95.78 1.74 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.203 178.285 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.89 -139.72 48.3 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 119.994 -1.098 . . . . 0.0 111.36 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.13 1.21 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.238 0.519 . . . . 0.0 110.907 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.697 ' HZ1' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -109.08 142.21 40.12 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.113 0.482 . . . . 0.0 110.96 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.668 ' C ' ' HE3' ' A' ' 46' ' ' LYS . 21.0 m-30 -109.74 147.76 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.027 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.439 ' OG1' ' HB ' ' A' ' 41' ' ' THR . 0.3 OUTLIER -107.28 120.19 41.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.917 0.389 . . . . 0.0 111.1 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.669 HG22 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -103.16 111.11 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.388 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.98 111.9 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.612 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 -98.33 119.08 36.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.89 142.87 32.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.678 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -149.36 147.79 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.813 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 53' ' ' SER . . . 8.4 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 56' ' ' ARG . 6.2 p90 -122.59 -27.32 4.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.283 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.511 HH22 HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -64.11 -178.35 0.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.64 125.85 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.009 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.449 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 45.4 mt -125.09 147.79 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.733 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 60' ' ' VAL . 30.5 tt0 -158.91 162.05 36.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.117 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 59' ' ' GLU . 23.1 t -160.65 159.66 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.309 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.697 HG22 ' HZ1' ' A' ' 46' ' ' LYS . 2.5 t -126.66 147.84 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.673 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -156.82 124.94 5.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.666 0.746 . . . . 0.0 110.959 179.443 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 4.3 tt0 -107.9 142.27 38.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.96 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.35 104.3 0.25 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.664 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.67 16.92 29.94 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.01 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -131.73 131.36 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.245 0.545 . . . . 0.0 110.599 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.673 HG21 ' HD3' ' A' ' 79' ' ' ARG . 4.4 m -41.28 142.85 0.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.8 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -81.65 151.68 27.48 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.625 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -124.05 118.58 27.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.133 0.492 . . . . 0.0 112.013 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.463 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 1.5 t80 -160.21 51.55 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.95 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.795 ' C ' HD13 ' A' ' 72' ' ' LEU . 22.2 p-10 -114.8 105.14 12.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.405 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -151.87 158.63 43.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.62 38.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -97.66 29.57 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 76' ' ' THR . . . 177.19 34.56 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.71 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.523 HG21 ' SD ' ' A' ' 21' ' ' MET . 14.8 t 44.21 -159.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.84 0.352 . . . . 0.0 111.25 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 4.3 mt-10 -121.72 109.65 14.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.282 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.846 HD21 HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -125.05 116.65 22.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.984 0.421 . . . . 0.0 110.533 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.673 ' HD3' HG21 ' A' ' 67' ' ' THR . 0.1 OUTLIER -124.57 121.55 35.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.02 -179.531 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.629 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.52 -123.05 1.64 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.172 -1.013 . . . . 0.0 112.79 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.667 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 19.1 p -157.72 150.4 22.85 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.89 0.376 . . . . 0.0 111.055 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.828 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -127.51 127.07 43.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 179.383 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.25 149.36 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.974 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -120.35 129.84 54.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -119.61 99.32 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.675 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.62 -106.75 2.17 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.355 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -114.59 20.89 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.663 0.268 . . . . 0.0 111.317 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.1 144.53 47.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.404 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.828 HD13 ' CZ2' ' A' ' 82' ' ' TRP . 4.1 pp -114.2 140.38 48.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.752 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.629 HG23 HG22 ' A' ' 105' ' ' VAL . 1.1 mp -128.33 96.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 111.576 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.451 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -84.73 167.11 42.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.023 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.601 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -153.86 155.02 34.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.418 . . . . 0.0 111.457 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.906 ' HB2' HD22 ' A' ' 102' ' ' LEU . 71.8 m-85 -145.35 171.26 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.386 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.522 ' HG2' ' HA2' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -152.61 130.78 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.114 177.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.5 mtp180 -75.82 140.8 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.048 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -22.56 62.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.71 -41.24 55.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -171.71 35.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.666 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.522 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.93 62.75 4.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.754 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 1.1 m-80 -79.3 132.74 36.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.0 110.315 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 30.4 mt-10 -66.93 132.25 47.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.589 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.906 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.8 tt -140.93 111.2 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.402 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.817 ' HB2' HG12 ' A' ' 118' ' ' VAL . 0.6 OUTLIER -104.87 149.67 25.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.221 0.534 . . . . 0.0 111.496 -179.233 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.525 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 2.1 p -141.2 117.52 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.214 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.629 HG22 HG23 ' A' ' 90' ' ' ILE . 16.4 t -123.26 124.48 70.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.0 111.3 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.808 ' HG2' HD12 ' A' ' 113' ' ' LEU . 11.9 ttm180 -124.94 116.39 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.589 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.857 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.0 OUTLIER -111.19 156.45 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.792 -179.842 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.031 HD13 HD11 ' A' ' 113' ' ' LEU . 4.6 mm -90.94 95.28 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.739 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.4 tp -84.92 58.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.826 0.822 . . . . 0.0 110.588 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.02 -128.76 8.87 Favored Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 120.113 -1.041 . . . . 0.0 111.872 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.8 -5.17 41.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.193 . . . . 0.0 110.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.542 ' O ' HD22 ' A' ' 113' ' ' LEU . 53.5 mt-10 -128.5 176.47 7.73 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.022 0.439 . . . . 0.0 111.097 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.031 HD11 HD13 ' A' ' 108' ' ' ILE . 1.3 mm? -121.64 141.13 51.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.42 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 114' ' ' VAL . 4.1 p -114.59 107.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.489 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.0 mt-30 -93.43 139.99 30.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.0 112.278 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.581 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.35 113.74 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.443 179.04 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.525 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 5.9 m-85 -117.03 159.46 22.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.649 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.817 HG12 ' HB2' ' A' ' 103' ' ' ASN . 11.6 p -151.16 140.24 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.925 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.833 ' CD2' HD12 ' A' ' 102' ' ' LEU . 8.1 t80 -154.85 104.55 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.066 0.46 . . . . 0.0 110.607 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.39 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.09 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.87 -13.98 0.84 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.861 0.704 . . . . 0.0 114.861 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.939 HG13 ' HG2' ' A' ' 16' ' ' LYS . 9.4 t -107.87 111.76 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.9 0.85 . . . . 0.0 112.299 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -114.52 119.58 37.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.799 178.557 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -122.31 137.67 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.928 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.36 165.59 11.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.445 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.803 ' HD2' HG21 ' A' ' 8' ' ' VAL . 10.7 ttp-105 -162.01 115.1 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.284 -0.566 . . . . 0.0 112.435 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.51 ' CG1' ' CG ' ' A' ' 10' ' ' ARG . 6.5 mm -77.98 138.21 20.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.859 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 36.2 t80 -119.52 156.32 30.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -143.19 155.11 44.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.988 178.06 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.24 151.63 25.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.164 0.507 . . . . 0.0 111.768 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.97 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 201' ' ' KTR . . . . . 0.869 ' O2 ' HD21 ' A' ' 102' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.675 ' CZ ' HD11 ' A' ' 89' ' ' LEU . 9.1 m-85 -85.73 -47.24 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.79 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.634 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 -173.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.923 0.392 . . . . 0.0 111.195 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -88.94 117.97 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.852 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 14.0 m0 -118.24 121.25 40.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.508 0.67 . . . . 0.0 111.404 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 5.1 pttp -115.81 119.65 36.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.474 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.743 HG11 HD23 ' A' ' 36' ' ' LEU . 4.2 p -65.07 135.23 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.818 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.535 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -81.01 -62.46 1.66 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' CG ' ' HB ' ' A' ' 127' ' ' ILE . 3.6 ptp180 -135.14 158.42 44.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.021 0.439 . . . . 0.0 111.118 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 33' ' ' HIS . 15.7 m -119.41 147.93 43.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.037 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.21 128.14 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.835 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.465 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 6.3 m-20 59.35 14.59 3.81 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.144 0.497 . . . . 0.0 111.251 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.511 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 18' ' ' MET . 2.0 t70 -54.01 -29.82 44.96 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.09 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.87 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.4 OUTLIER -55.1 -42.23 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.519 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.835 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-85 -72.54 -24.54 61.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.024 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.657 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.58 -33.1 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.513 178.718 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.12 -61.47 1.8 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.822 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -64.19 -47.35 80.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 111.35 -179.119 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.834 ' HG2' HD11 ' A' ' 78' ' ' LEU . 1.7 ttp -72.83 -25.05 60.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.99 63.17 2.33 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.747 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.657 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.4 t -106.54 112.42 39.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -53.54 172.08 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.369 0.604 . . . . 0.0 111.66 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -88.62 -33.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.165 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.0 t -48.84 -52.15 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.535 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -30.92 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.584 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 1.9 tmm_? -73.78 -22.02 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.754 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ILE . 11.9 mttt -44.0 -36.28 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.92 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.9 OUTLIER -104.39 -45.53 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.087 0.47 . . . . 0.0 110.486 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -62.77 -14.44 44.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.821 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.582 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -53.68 -45.62 70.38 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 1.5 t-160 177.7 -73.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.8 m-20 -48.93 -49.93 37.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.551 -178.08 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -101.87 61.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.903 0.382 . . . . 0.0 111.675 -178.912 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.743 HD23 HG11 ' A' ' 8' ' ' VAL . 50.1 tp -122.72 115.88 22.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -116.05 116.84 28.61 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.853 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.809 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -108.75 112.73 25.17 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.451 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -103.64 152.99 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.051 0.453 . . . . 0.0 111.741 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.665 HG21 ' HB3' ' A' ' 2' ' ' PHE . 61.5 mt -134.58 131.9 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -124.14 157.05 35.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.773 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.8 114.68 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.341 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -147.88 89.79 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.415 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.81 -139.27 40.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.715 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -80.02 3.22 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.18 0.49 . . . . 0.0 110.875 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.85 136.78 52.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.229 0.538 . . . . 0.0 111.381 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' PHE . 6.2 m-30 -108.83 142.92 38.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.094 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.602 HG23 ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -101.42 120.25 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.465 HG21 ' CD2' ' A' ' 62' ' ' PHE . 18.4 t -98.93 120.05 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.243 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -118.12 111.84 19.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.448 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -97.16 119.13 35.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.007 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -101.91 147.34 26.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.997 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.92 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -149.63 -171.08 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.697 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.706 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -60.97 -68.32 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.025 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.06 -26.82 5.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.376 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -79.12 164.69 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.831 0.348 . . . . 0.0 111.08 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -141.71 131.6 24.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.417 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 6.9 mt -136.3 157.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.597 ' O ' HG13 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -176.41 160.58 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.678 HG23 ' CE2' ' A' ' 62' ' ' PHE . 2.8 m -162.09 107.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.602 ' CG2' HG23 ' A' ' 48' ' ' THR . 0.9 OUTLIER -64.2 147.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.178 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.678 ' CE2' HG23 ' A' ' 60' ' ' VAL . 24.5 m-85 -143.81 165.41 27.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.673 0.749 . . . . 0.0 112.371 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 3.4 tt0 -149.76 134.48 17.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.211 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.718 HD21 HD12 ' A' ' 84' ' ' LEU . 23.3 mt -59.22 105.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.575 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.65 22.42 7.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.816 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 61.8 t -132.97 147.34 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.0 110.456 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -62.21 145.41 53.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.474 -178.335 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.661 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.97 162.51 21.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.182 178.716 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 78.1 m-20 -142.39 141.83 32.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.013 0.435 . . . . 0.0 111.727 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 0.5 OUTLIER -174.75 58.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.295 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 43.1 t-20 -114.1 129.86 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.51 ' HG ' HG22 ' A' ' 76' ' ' THR . 0.6 OUTLIER -177.89 179.94 0.82 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.72 -166.08 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.64 -64.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.132 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 158.63 76.18 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.855 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.51 HG22 ' HG ' ' A' ' 72' ' ' LEU . 3.4 t -168.15 136.39 2.29 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.682 0.753 . . . . 0.0 112.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 32.7 mt-10 -161.6 54.75 0.26 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.54 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.946 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -97.14 128.52 44.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.714 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 5.9 ttm180 -132.99 118.45 18.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.515 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.614 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.5 -119.36 1.53 Allowed Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.578 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.2 p -158.14 176.11 12.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.946 0.403 . . . . 0.0 111.133 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -143.91 127.84 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.129 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.49 150.07 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.981 0.419 . . . . 0.0 111.432 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.718 HD12 HD21 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -127.35 129.31 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.631 179.517 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -129.82 94.45 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.72 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.52 -106.41 1.61 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -109.12 21.04 17.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.713 0.292 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -137.48 138.59 39.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.863 0.364 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.675 HD11 ' CZ ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -117.71 146.2 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.754 HG22 ' HE3' ' A' ' 92' ' ' LYS . 1.6 mp -128.0 95.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 111.811 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 82' ' ' TRP . . . -85.9 163.32 36.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.746 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.754 ' HE3' HG22 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -153.35 155.84 37.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.109 0.481 . . . . 0.0 111.844 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.84 ' HB2' HD22 ' A' ' 102' ' ' LEU . 53.0 m-85 -141.9 171.67 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.935 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -154.91 130.44 9.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.084 177.63 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 4.7 mtp85 -78.19 153.0 32.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.051 0.453 . . . . 0.0 110.899 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.69 -23.67 45.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.327 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -47.44 -35.8 9.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 178.15 40.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.472 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.24 63.02 4.28 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.525 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 40.0 m-20 -74.98 138.29 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 132.41 41.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.434 0.635 . . . . 0.0 111.787 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.946 HD13 ' CD2' ' A' ' 78' ' ' LEU . 5.3 tt -138.52 111.65 7.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.165 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.579 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 4.7 m120 -108.2 144.56 35.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.194 0.521 . . . . 0.0 111.886 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.507 HG21 ' CE2' ' A' ' 117' ' ' TYR . 88.9 m -146.92 128.04 14.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.934 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 90' ' ' ILE . 18.0 t -125.05 122.45 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.326 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.563 ' HG3' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -115.51 116.33 27.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -124.53 131.52 53.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.659 HD13 ' CD1' ' A' ' 113' ' ' LEU . 9.9 mm -61.3 85.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.246 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.1 tp -77.49 116.51 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.55 -126.21 27.78 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.791 -1.195 . . . . 0.0 111.538 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.33 13.79 28.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.903 0.383 . . . . 0.0 110.355 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 23.7 mt-10 -131.64 176.18 8.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.054 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.694 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 6.7 tp -118.9 128.92 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.372 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -103.93 106.76 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -104.33 105.93 16.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.648 -178.745 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.744 HG23 ' HE2' ' A' ' 125' ' ' LYS . 37.1 m -102.86 110.97 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.186 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.538 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 3.2 m-85 -102.86 156.69 17.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.573 HG12 ' HB2' ' A' ' 103' ' ' ASN . 7.9 p -150.5 140.28 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.941 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.645 ' CD2' HD12 ' A' ' 102' ' ' LEU . 7.1 t80 -155.9 118.02 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.468 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 119' ' ' TYR . 5.5 mp0 26.51 88.65 0.01 OUTLIER 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.323 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.61 -3.44 6.3 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.874 -0.679 . . . . 0.0 114.086 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.87 HG13 ' HG2' ' A' ' 16' ' ' LYS . 6.0 t -108.4 145.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.194 0.497 . . . . 0.0 111.435 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 117' ' ' TYR . 5.8 tt0 -156.21 120.79 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -119.81 136.32 54.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.157 0.503 . . . . 0.0 111.181 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.744 ' HE2' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -109.24 128.86 55.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.093 179.515 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.459 ' CG ' HG21 ' A' ' 8' ' ' VAL . 5.9 ttt-85 -121.6 114.74 21.61 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.3 mp -81.09 139.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.852 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 40.5 t80 -124.1 153.92 40.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.535 ' HG2' ' HB2' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -144.57 156.04 43.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.167 177.782 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -108.72 152.12 25.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.161 0.505 . . . . 0.0 112.01 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.202 -0.904 . . . . 0.35 110.892 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' KTR . . . . . 0.511 ' H2 ' ' CE1' ' A' ' 14' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.83 0.348 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.628 ' CE1' HD21 ' A' ' 89' ' ' LEU . 2.5 m-85 -74.47 -49.88 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 109.81 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.791 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.71 179.73 0.12 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 111.481 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -88.38 121.38 30.7 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.855 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 18.5 m0 -113.21 126.63 55.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.718 0.771 . . . . 0.0 112.445 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -121.3 114.45 21.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.977 178.429 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG21 ' CD ' ' A' ' 126' ' ' ARG . 1.9 p -68.49 134.25 30.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.351 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 27.4 t70 -88.99 -69.35 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.036 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' HG3' HD13 ' A' ' 127' ' ' ILE . 9.8 ptt180 -123.05 168.86 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.607 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 10.4 p -142.53 163.1 33.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.313 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.03 127.57 28.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 8.6 m-20 59.2 16.24 4.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 111.136 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.654 ' HE1' ' HE1' ' A' ' 18' ' ' MET . 3.7 t80 -56.37 -40.79 75.12 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -61.38 -32.78 72.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.524 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 1.0 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.9 OUTLIER -48.32 -43.14 32.94 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.525 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.827 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-30 -70.41 -38.82 74.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.154 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.654 ' HE1' ' HE1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -53.77 -32.71 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.957 178.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -87.65 -60.31 2.01 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.747 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.4 OUTLIER -63.38 -20.58 65.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.318 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.6 ttp -106.58 -9.64 16.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.203 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.37 51.56 58.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.612 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.456 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.6 t -90.43 123.92 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.989 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -56.39 148.49 18.89 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.377 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.438 HD13 ' CZ ' ' A' ' 28' ' ' ARG . 6.1 tp -77.59 -31.03 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.76 -47.4 62.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.336 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.61 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.554 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.734 ' HD3' ' HB2' ' A' ' 32' ' ' ALA . 2.2 tmm_? -72.7 -25.12 61.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.273 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.35 -42.51 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.301 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' A' ' 53' ' ' SER . 0.5 OUTLIER -108.15 -12.65 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.699 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -93.22 -15.98 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.734 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -56.97 -48.36 78.56 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.538 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 13.8 p-80 168.67 -38.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 111.662 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.456 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 16.1 m-20 -54.52 -58.23 8.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.042 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -115.63 31.65 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 0.0 111.526 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' ' 31' ' ' ALA . 60.4 tp -84.84 116.37 23.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.1 tppp? -108.84 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.325 0.583 . . . . 0.0 110.187 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.726 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.6 tp -114.96 129.05 56.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.841 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.416 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 80.5 m -120.69 153.98 36.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.089 0.471 . . . . 0.0 111.942 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.743 HD12 ' CE2' ' A' ' 6' ' ' TRP . 65.4 mt -129.18 133.51 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.248 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m -128.49 159.32 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.1 134.59 54.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.03 0.443 . . . . 0.0 111.588 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -168.51 89.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.145 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.84 -136.25 51.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.657 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -86.91 14.26 7.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.276 0.538 . . . . 0.0 110.627 178.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -129.78 139.9 51.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.132 0.491 . . . . 0.0 111.28 -179.682 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PHE . 8.6 m-30 -110.83 173.23 6.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.781 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -126.47 120.0 28.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.571 0.225 . . . . 0.0 110.412 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 60' ' ' VAL . 4.6 t -94.75 111.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.923 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' H ' ' HB ' ' A' ' 39' ' ' THR . 2.4 mptt -108.23 111.8 23.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.354 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -102.93 150.49 23.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.992 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -139.91 152.98 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.644 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -149.53 -171.06 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.594 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -57.96 -68.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.026 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -117.75 -26.7 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.1 170.23 16.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -141.7 146.02 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' HB ' ' HB3' ' A' ' 51' ' ' GLU . 1.2 mt -150.48 154.99 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.95 171.42 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.7 p -179.59 139.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.0 111.565 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -75.34 161.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.409 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -136.16 150.37 49.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.648 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.698 ' CD ' HG21 ' A' ' 66' ' ' VAL . 36.1 tt0 -148.94 119.51 7.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.755 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 84' ' ' LEU . 21.0 mt -60.45 114.14 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.62 24.6 17.7 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.888 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.698 HG21 ' CD ' ' A' ' 63' ' ' GLU . 21.7 t -135.95 160.57 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 0.0 110.495 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -79.51 141.85 36.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.023 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.5 OUTLIER -81.74 154.16 26.15 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -125.59 132.12 52.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.188 0.518 . . . . 0.0 112.255 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' CZ ' ' O1 ' ' A' ' 201' ' ' KTR . 0.4 OUTLIER -157.98 42.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.129 179.051 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -45.1 -87.64 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.73 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.725 HD23 ' HA3' ' A' ' 75' ' ' GLY . 6.0 tp 53.74 87.2 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.761 0.315 . . . . 0.0 110.685 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.71 -40.49 9.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.521 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.55 36.89 2.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.725 ' HA3' HD23 ' A' ' 72' ' ' LEU . . . -126.62 -74.62 0.21 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.629 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.419 HG21 ' C14' ' A' ' 201' ' ' KTR . 13.2 t -160.6 -44.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.29 . . . . 0.0 111.564 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 1.7 mt-10 69.64 85.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.768 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.828 HD21 HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -132.1 131.11 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -131.16 117.88 19.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.236 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -140.95 -117.29 1.36 Allowed Glycine 0 C--O 1.228 -0.254 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.891 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 16.4 p -157.74 175.62 13.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.068 0.461 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.565 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 10.1 t90 -156.73 126.82 6.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.584 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.57 149.32 35.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.0 111.326 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -101.37 132.18 47.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.669 179.688 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -123.49 97.45 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.922 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.16 -108.57 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.426 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.81 20.81 18.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -138.49 158.1 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.628 HD21 ' CE1' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -126.87 138.86 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.752 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 82' ' ' TRP . 0.7 OUTLIER -114.21 138.15 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.086 0.469 . . . . 0.0 111.559 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' A' ' 92' ' ' LYS . . . -124.67 148.68 16.81 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.212 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.563 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -145.26 156.25 43.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.067 0.461 . . . . 0.0 111.442 -178.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.817 ' HB2' HD22 ' A' ' 102' ' ' LEU . 48.2 m-85 -141.85 171.84 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.353 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -156.79 130.06 7.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.884 177.583 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.602 ' HG3' ' OH ' ' A' ' 119' ' ' TYR . 7.0 mmt85 -76.95 147.81 36.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.232 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.21 -22.43 59.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.566 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -50.0 -40.31 44.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.834 0.349 . . . . 0.0 111.185 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -178.12 40.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.594 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.471 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 51.6 64.99 3.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.75 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.54 ' HB2' ' HG3' ' A' ' 95' ' ' ARG . 32.5 m120 -78.35 140.8 38.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.95 127.14 31.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.828 HD13 HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -138.38 111.39 7.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.685 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.75 ' HB2' HG12 ' A' ' 118' ' ' VAL . 6.2 m120 -107.48 152.66 23.92 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.214 0.53 . . . . 0.0 112.18 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.79 117.93 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.857 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.24 129.69 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -132.25 116.5 17.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.183 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 113' ' ' LEU . 14.7 pt-20 -111.26 154.71 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.457 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.047 HD13 HD11 ' A' ' 113' ' ' LEU . 7.4 mm -82.39 87.73 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 111.528 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.4 tp -79.67 117.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.31 -123.79 16.12 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.942 -1.123 . . . . 0.0 111.849 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -102.24 15.63 28.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.968 0.413 . . . . 0.0 110.372 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.544 ' O ' HD22 ' A' ' 113' ' ' LEU . 61.0 mt-10 -132.93 177.97 7.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.374 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.047 HD11 HD13 ' A' ' 108' ' ' ILE . 1.7 mm? -119.73 130.1 54.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.067 0.46 . . . . 0.0 111.627 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.9 p -108.87 107.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.612 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.2 mp0 -96.87 140.52 31.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.142 0.496 . . . . 0.0 112.052 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -133.22 114.36 13.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.665 179.101 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.535 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 2.2 m-85 -113.06 150.82 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.369 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 103' ' ' ASN . 6.3 p -146.61 142.09 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.909 0.385 . . . . 0.0 111.256 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.739 ' CG ' HD12 ' A' ' 102' ' ' LEU . 55.2 t80 -155.72 109.73 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.239 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 119' ' ' TYR . 1.8 pt-20 28.77 90.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.026 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 83.23 -52.25 4.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.996 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 1.0 HG13 ' HG2' ' A' ' 16' ' ' LYS . 42.4 t -77.83 133.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.375 0.607 . . . . 0.0 112.562 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 117' ' ' TYR . 2.1 tt0 -138.65 116.96 11.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.12 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.496 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -120.13 137.3 54.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.078 0.466 . . . . 0.0 111.822 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.854 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.49 164.71 11.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.173 179.459 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.783 ' CD ' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -154.63 119.02 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.571 -178.9 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 127' ' ' ILE . 2.4 mp -83.73 132.25 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.855 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 48.6 t80 -114.3 154.0 28.76 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 85.9 mttt -143.25 162.41 35.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.076 178.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -107.57 151.1 26.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.107 0.479 . . . . 0.0 111.7 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.23 -0.89 . . . . 0.35 110.966 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' KTR . . . . . 0.419 ' C14' HG21 ' A' ' 76' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.68 ' CE1' HD11 ' A' ' 89' ' ' LEU . 2.8 m-85 -89.51 -54.68 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -51.13 106.24 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.734 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.71 -177.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 111.389 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.601 HG23 ' HE3' ' A' ' 37' ' ' LYS . 98.9 m -88.85 123.31 33.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.864 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 10.9 m0 -117.12 126.92 53.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 111.804 -178.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 28.0 pttt -120.7 116.06 24.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.887 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.46 HG23 ' CZ ' ' A' ' 126' ' ' ARG . 5.2 p -64.05 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.914 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.91 -52.43 4.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.384 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 4.9 ptt180 -145.67 171.71 14.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.798 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 p -144.11 166.22 25.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.248 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -145.09 126.29 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 5.4 m-20 61.61 15.81 7.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 111.166 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.4 OUTLIER -56.95 -43.19 81.31 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.25 -32.77 66.91 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.902 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -51.44 -38.74 55.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.539 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.875 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-85 -77.48 -23.97 50.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.206 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.552 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 18.3 mmt -75.58 -27.87 58.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.63 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.18 -60.4 1.99 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.763 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.1 tptp -58.75 -47.25 85.32 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.442 ' HE2' ' O ' ' A' ' 17' ' ' PHE . 12.3 mtm -74.08 -32.44 63.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.672 0.272 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.09 45.81 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.204 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.805 HG13 ' C13' ' A' ' 201' ' ' KTR . 14.3 t -87.44 111.05 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.0 110.511 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.484 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.434 ' HA ' ' HB3' ' A' ' 28' ' ' ARG . 1.8 tt -42.98 -39.42 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.354 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -47.88 -53.12 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.829 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -79.86 -30.27 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.197 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.911 ' NE ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -62.81 -33.46 75.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.231 179.562 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -46.17 -43.82 15.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.578 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.864 HD13 ' CB ' ' A' ' 53' ' ' SER . 2.7 mt -92.23 -12.98 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.128 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -92.89 -22.33 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.849 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.911 ' HB2' ' NE ' ' A' ' 28' ' ' ARG . . . -55.14 -48.27 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.447 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.73 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.0 111.718 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -48.55 -58.24 4.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.678 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -106.63 46.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.998 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 31' ' ' ALA . 2.1 tt -111.5 117.14 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.0 111.585 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.601 ' HE3' HG23 ' A' ' 5' ' ' THR . 0.4 OUTLIER -119.6 116.72 26.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.55 178.795 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.773 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.4 tp -105.98 134.53 48.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.794 ' C ' HD13 ' A' ' 40' ' ' ILE . 69.4 m -125.94 151.38 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.133 0.492 . . . . 0.0 112.045 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD13 ' C ' ' A' ' 39' ' ' THR . 1.8 mm -127.35 133.04 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -127.02 154.23 44.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.771 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -99.77 137.67 37.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.37 92.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.46 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.04 -127.12 24.12 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.046 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.27 21.1 7.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.251 0.525 . . . . 0.0 109.973 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -131.38 167.41 19.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.08 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CE2' HD13 ' A' ' 84' ' ' LEU . 20.3 m-85 -133.44 169.57 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.022 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -125.22 124.16 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.524 179.528 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 60' ' ' VAL . 10.6 t -94.7 118.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 111.025 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -118.93 112.47 19.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.412 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -100.07 148.9 24.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.93 0.395 . . . . 0.0 111.035 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -138.01 141.69 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.864 ' CB ' HD13 ' A' ' 30' ' ' LEU . 48.7 m -149.4 -173.76 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.743 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.64 -13.09 18.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.501 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.72 ' HB2' HD11 ' A' ' 30' ' ' LEU . 8.4 m-85 -108.57 -26.81 10.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.0 111.29 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.595 ' NH2' HD11 ' A' ' 58' ' ' ILE . 7.0 ptt-85 -164.52 -171.01 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -141.93 133.48 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.595 HD11 ' NH2' ' A' ' 56' ' ' ARG . 1.5 mt -116.48 162.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 58' ' ' ILE . 21.1 tt0 -171.21 148.9 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.037 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 8.4 p -165.65 125.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.464 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 10.8 p -86.4 151.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 40.5 m-85 -149.69 167.23 27.02 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.09 0.472 . . . . 0.0 112.037 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 11.3 tt0 -133.83 139.11 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.004 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.94 111.26 1.41 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.507 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.87 23.45 15.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.432 -0.89 . . . . 0.0 111.892 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 87.5 t -131.44 142.06 44.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.25 0.548 . . . . 0.0 110.397 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -54.83 142.16 30.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.469 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -82.49 163.16 21.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.954 178.515 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -142.39 139.51 31.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.0 111.986 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.585 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -173.76 88.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.268 179.501 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.695 ' C ' HD23 ' A' ' 72' ' ' LEU . 26.8 p-10 -149.97 134.78 17.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.88 0.371 . . . . 0.0 111.373 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER 174.16 170.55 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.532 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.24 -47.96 35.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.032 0.444 . . . . 0.0 110.752 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.73 87.62 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.834 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.19 -19.08 0.1 Allowed Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.1 m 61.64 143.7 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 120.896 0.379 . . . . 0.0 111.119 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.13 137.11 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.914 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -160.86 112.73 1.89 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.494 179.294 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 7.9 ttp180 -124.77 121.01 33.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.42 -121.28 1.48 Allowed Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.049 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' LYS . 11.2 p -158.2 174.66 14.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.936 0.398 . . . . 0.0 110.805 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.5 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 6.1 t90 -147.01 127.43 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.57 ' O ' HD12 ' A' ' 90' ' ' ILE . 18.5 m -138.63 122.72 17.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.971 HD21 HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -100.68 131.42 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -123.12 94.45 4.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.777 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.47 -104.2 1.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.398 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.08 21.48 17.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.601 0.239 . . . . 0.0 111.24 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -133.89 137.07 44.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.971 HD23 HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -116.85 125.59 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 83' ' ' SER . 1.9 mp -115.41 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 0.0 111.522 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.512 ' N ' ' HG1' ' A' ' 104' ' ' THR . . . -98.4 162.7 20.74 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.926 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.525 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -152.29 157.47 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.012 0.434 . . . . 0.0 111.384 -179.213 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.66 ' HB3' HD23 ' A' ' 78' ' ' LEU . 39.5 m-85 -143.49 172.02 13.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.979 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -151.68 131.09 12.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.755 177.571 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 119' ' ' TYR . 17.1 mtp180 -72.86 128.4 35.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.869 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -20.07 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.332 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -47.39 -27.09 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.992 0.425 . . . . 0.0 110.999 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 179.17 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.234 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.497 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 133.27 62.02 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.718 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.541 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.2 m-80 -78.25 143.18 37.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.319 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 0.3 OUTLIER -78.34 129.47 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.757 0.789 . . . . 0.0 112.544 -178.433 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.798 HD22 ' HB2' ' A' ' 119' ' ' TYR . 1.7 tm? -134.36 118.84 17.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.865 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.784 ' HB2' HG12 ' A' ' 118' ' ' VAL . 1.2 m120 -113.7 147.47 38.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.0 112.199 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.544 ' HB ' ' CE2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -147.02 117.34 7.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.68 178.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.36 120.72 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.754 ' HB3' HD21 ' A' ' 113' ' ' LEU . 90.1 mtt180 -115.94 127.16 54.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.223 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.2 146.18 52.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.667 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.748 HD13 HD12 ' A' ' 113' ' ' LEU . 7.2 mm -83.78 84.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.191 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.6 tp -79.69 119.28 28.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.81 -123.87 18.17 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.541 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -100.62 11.22 39.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.977 0.418 . . . . 0.0 110.275 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 26.9 mt-10 -128.16 177.16 7.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.735 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.754 HD21 ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -119.64 129.9 54.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.396 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 114' ' ' VAL . 6.7 p -103.36 108.03 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.588 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.8 mt-30 -107.17 119.26 38.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.0 112.029 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.889 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -117.04 117.65 30.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.023 179.165 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.544 ' CE2' ' HB ' ' A' ' 104' ' ' THR . 1.8 m-85 -113.52 156.51 23.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.236 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.784 HG12 ' HB2' ' A' ' 103' ' ' ASN . 15.0 p -151.31 136.48 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.831 0.348 . . . . 0.0 111.012 178.166 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.798 ' HB2' HD22 ' A' ' 102' ' ' LEU . 5.6 t80 -152.43 120.04 6.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.0 110.774 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' TYR . 1.2 mm-40 24.54 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.083 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.44 -4.34 9.25 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.876 -0.678 . . . . 0.0 114.041 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.902 HG13 ' HG2' ' A' ' 16' ' ' LYS . 16.1 t -107.49 144.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.113 0.456 . . . . 0.0 111.559 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.1 tt0 -155.6 113.92 3.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.069 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.42 139.0 53.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 0.0 111.759 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.889 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.63 161.07 15.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.513 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 11.0 ttt-85 -158.01 114.57 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.81 -178.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.457 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 5.1 mm -81.33 149.38 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.864 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 43.9 t80 -131.07 154.44 48.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.468 ' HG2' ' HB2' ' A' ' 9' ' ' ASP . 3.8 pttp -144.0 157.59 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.184 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -107.84 151.16 26.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.215 0.531 . . . . 0.0 111.834 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.968 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' KTR . . . . . 0.805 ' C13' HG13 ' A' ' 23' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.753 0.311 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 108' ' ' ILE . 5.0 m-85 -88.23 -46.84 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -58.13 111.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.533 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.83 -172.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.811 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.496 HG22 ' HE2' ' A' ' 37' ' ' LYS . 56.3 m -89.28 120.14 30.38 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.85 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.4 m0 -116.92 125.07 50.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.0 111.26 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 129' ' ' LYS . 4.1 ptmt -120.99 115.44 23.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.839 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.799 HG21 ' HD2' ' A' ' 126' ' ' ARG . 1.1 p -60.95 129.71 24.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.3 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -84.92 -63.74 1.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.828 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 127' ' ' ILE . 6.6 ptt180 -128.1 169.64 13.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.6 p -144.07 166.0 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.57 131.38 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.652 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER 62.12 13.03 5.44 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.257 0.551 . . . . 0.0 111.253 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -55.7 -46.61 77.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 18' ' ' MET . 8.4 t0 -54.67 -31.71 58.17 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.849 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.92 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -52.46 -40.75 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.223 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.789 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.0 m-85 -74.12 -24.55 59.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.709 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.672 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -71.05 -31.74 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.378 179.283 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.8 -60.55 1.95 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.764 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.5 tptp -56.88 -47.5 80.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' A' ' 17' ' ' PHE . 4.1 mtp -81.92 -28.76 32.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 111.189 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.83 56.48 1.96 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.672 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 4.0 t -97.67 99.37 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -50.19 178.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.492 0.663 . . . . 0.0 112.219 -178.695 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -86.52 -32.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.242 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 21.7 t -44.26 -56.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.865 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' HD13 ' A' ' 72' ' ' LEU . 22.3 mmtp -86.53 -29.09 22.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.561 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.3 tmm_? -73.49 -20.14 60.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.85 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ILE . 3.3 mttt -44.03 -48.65 8.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.0 111.473 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.914 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -101.41 -31.87 10.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -70.46 -13.79 62.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.514 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 33' ' ' HIS . . . -55.07 -47.0 75.48 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.37 -50.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.825 0.345 . . . . 0.0 111.464 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -55.13 29.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.793 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -108.42 44.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 111.279 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 31' ' ' ALA . 8.5 tt -103.82 118.64 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HE2' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -116.52 116.64 28.02 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.323 0.583 . . . . 0.0 110.068 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.843 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.2 tp -106.77 112.02 24.8 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.4 m -99.43 142.01 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.012 0.434 . . . . 0.0 111.817 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.444 HG13 ' CE2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.38 133.99 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.471 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.7 m -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 111.268 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -88.35 121.27 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.644 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' OE1' HG23 ' A' ' 48' ' ' THR . 5.2 tt0 -140.23 41.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.298 0.57 . . . . 0.0 111.107 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.08 -125.23 6.83 Favored Glycine 0 C--N 1.314 -0.666 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -78.88 1.27 24.08 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 117.212 0.506 . . . . 0.0 110.812 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.772 ' CE ' HG21 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -130.28 155.64 45.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.405 0.621 . . . . 0.0 111.625 -179.777 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.76 ' HE2' HD21 ' A' ' 64' ' ' LEU . 43.5 m-85 -111.4 133.8 53.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.673 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.48 HG23 ' OE1' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -87.94 119.88 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.694 HG22 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -108.63 124.97 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.442 . . . . 0.0 111.046 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -122.55 116.07 23.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.1 tt0 -86.23 117.55 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.823 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.401 ' CB ' ' HG2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -105.73 144.79 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.034 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.914 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -149.86 -171.07 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.862 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.668 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -74.93 -59.51 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -115.5 -26.83 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.58 149.81 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.973 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -141.89 136.75 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 2.4 mp -139.7 160.82 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.685 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' N ' HG22 ' A' ' 58' ' ' ILE . 63.3 tt0 -154.21 162.17 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.197 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.658 HG13 HG23 ' A' ' 49' ' ' VAL . 12.4 p -178.36 165.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.791 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.772 HG21 ' CE ' ' A' ' 46' ' ' LYS . 12.3 p -136.97 146.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.46 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.92 130.03 31.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.466 0.651 . . . . 0.0 111.214 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -106.24 138.73 41.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.065 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.76 HD21 ' HE2' ' A' ' 47' ' ' PHE . 18.3 mt -60.47 102.0 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.19 15.29 18.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.121 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.427 HG23 ' OE1' ' A' ' 63' ' ' GLU . 39.9 t -132.78 144.41 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.157 0.504 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.1 m -57.51 154.62 10.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.021 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.624 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.276 179.165 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -130.28 118.32 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.967 0.413 . . . . 0.0 111.912 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.415 ' CE1' ' O1 ' ' A' ' 201' ' ' KTR . 0.2 OUTLIER -139.19 48.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.302 179.066 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -84.15 127.05 33.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.031 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.714 HD12 ' H9 ' ' A' ' 201' ' ' KTR . 98.0 mt -154.33 105.85 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.775 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.39 -28.22 41.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -59.35 -31.33 69.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.5 -74.22 0.13 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.8 t -158.98 -168.34 2.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 0.0 111.182 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -146.92 118.91 8.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.37 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.756 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -120.26 137.07 54.44 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.18 0.514 . . . . 0.0 111.446 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' LYS . 25.5 ttp85 -110.92 123.86 50.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.124 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.617 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -147.61 -157.03 7.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.271 -1.442 . . . . 0.0 114.55 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.478 ' O ' ' HA2' ' A' ' 91' ' ' GLY . 1.9 p -151.62 138.77 19.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.317 -0.441 . . . . 0.0 109.873 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.458 ' CZ3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -111.05 142.23 43.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.406 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.77 144.59 22.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.622 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.577 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -110.59 127.58 55.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.084 0.469 . . . . 0.0 110.681 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.55 93.97 4.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.235 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.13 -101.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.962 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -115.06 21.47 14.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.607 0.241 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -125.08 147.25 49.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.019 0.438 . . . . 0.0 111.592 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.763 ' C ' HD13 ' A' ' 90' ' ' ILE . 2.6 mm? -107.52 127.74 53.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.424 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -129.26 137.22 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.463 0.649 . . . . 0.0 112.466 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 81' ' ' THR . . . -142.4 153.12 24.26 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.588 ' O ' ' CA ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -146.75 117.31 7.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.618 0.709 . . . . 0.0 111.081 -179.298 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.624 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 96.7 m-85 -101.54 173.02 6.62 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 112.283 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.4 mttt -158.05 131.59 7.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.355 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.41 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 2.1 mtp180 -73.63 141.74 46.52 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.183 0.516 . . . . 0.0 111.006 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -17.05 61.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.547 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -47.86 -57.92 5.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -155.55 24.54 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.434 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.539 ' C ' ' HE2' ' A' ' 94' ' ' LYS . . . 71.53 82.82 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.131 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.75 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 32.1 m120 -112.91 109.77 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.862 0.363 . . . . 0.0 110.267 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.633 ' HA ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -60.0 142.95 53.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.771 0.796 . . . . 0.0 111.918 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.756 HD13 ' CD2' ' A' ' 78' ' ' LEU . 6.1 tt -143.77 126.4 16.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.693 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.787 ' HB2' HG12 ' A' ' 118' ' ' VAL . 6.6 m120 -109.73 150.97 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 111.378 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.455 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.6 p -146.27 117.33 7.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.052 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 t -129.39 114.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 14.2 ptt180 -130.47 116.52 18.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -111.23 158.56 18.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.8 HD13 ' CD1' ' A' ' 113' ' ' LEU . 8.3 mm -76.01 82.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 109' ' ' ILE . 7.1 tp -76.24 121.05 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.8 -124.89 28.56 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.8 -1.191 . . . . 0.0 111.704 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.37 16.81 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.804 0.335 . . . . 0.0 110.497 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 14.3 mt-10 -138.42 178.37 7.19 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.8 ' CD1' HD13 ' A' ' 108' ' ' ILE . 2.0 tp -113.84 129.77 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.027 0.441 . . . . 0.0 110.949 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.9 p -108.43 108.06 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.68 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -100.93 140.85 34.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.26 0.553 . . . . 0.0 112.291 -178.409 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.826 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.7 111.45 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.504 178.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.1 m-85 -111.41 157.56 20.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.303 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.787 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.5 p -149.63 135.36 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-O 120.669 0.271 . . . . 0.0 111.088 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.665 ' CD1' HD12 ' A' ' 102' ' ' LEU . 39.9 t80 -145.86 116.69 7.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.58 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.4 OUTLIER 22.25 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.199 -179.646 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.19 -6.51 14.26 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.88 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.92 HG13 ' HG2' ' A' ' 16' ' ' LYS . 19.1 t -107.39 145.7 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.947 0.373 . . . . 0.0 111.219 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 5.1 tt0 -156.12 115.8 3.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.268 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.69 135.63 55.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.146 0.498 . . . . 0.0 111.653 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.826 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.88 135.88 49.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.182 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.799 ' HD2' HG21 ' A' ' 8' ' ' VAL . 3.1 ttp180 -131.27 115.53 16.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 127' ' ' ILE . 2.8 mp -82.59 134.66 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.85 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 35.7 t80 -107.65 148.83 28.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 7' ' ' LYS . 13.3 tmtt? -142.15 158.73 43.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.863 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -107.97 148.91 29.05 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.327 0.584 . . . . 0.0 112.078 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.156 -0.929 . . . . 0.35 111.011 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' KTR . . . . . 0.714 ' H9 ' HD12 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.504 ' CE1' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -75.47 -51.93 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.778 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -55.41 104.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.71 -175.95 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 91.3 m -88.66 115.91 26.53 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.851 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 16.0 m0 -115.63 126.48 54.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.507 0.67 . . . . 0.0 111.74 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.1 ttpt -118.54 121.73 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.467 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.525 HG23 ' NE ' ' A' ' 126' ' ' ARG . 5.8 p -65.33 135.23 28.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.143 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 16.0 t70 -93.61 -71.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.15 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.544 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 3.9 ptp180 -118.86 165.8 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.63 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.5 p -140.91 156.82 46.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.294 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -136.24 123.99 22.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.413 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 62.57 14.12 6.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.187 0.518 . . . . 0.0 111.229 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -56.61 -49.82 73.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -49.98 -33.33 17.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.788 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.865 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -52.33 -41.4 62.96 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.532 179.335 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.873 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.3 m-85 -72.23 -25.19 61.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.179 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -69.94 -30.08 67.37 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.03 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.28 -60.66 1.94 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.766 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.1 tptp -56.6 -47.41 79.65 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.327 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 5.9 mtm -65.25 -40.07 93.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 110.201 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.24 55.02 2.02 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.448 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 18' ' ' MET . 16.4 m -96.37 156.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.714 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -81.17 -173.36 4.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.814 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.91 -38.9 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.32 -45.91 33.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.504 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -33.62 29.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.992 0.425 . . . . 0.0 110.3 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.533 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -65.12 -33.33 75.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.818 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -54.57 -42.46 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.829 HD13 ' CB ' ' A' ' 53' ' ' SER . 1.4 mt -101.67 -14.75 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.142 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -93.74 -16.14 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 33' ' ' HIS . . . -59.21 -49.35 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 28.0 p-80 160.0 -44.61 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.963 0.411 . . . . 0.0 111.367 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.21 -57.76 8.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.866 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -111.32 66.73 0.63 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 111.318 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' HB3' ' CG1' ' A' ' 8' ' ' VAL . 37.3 tp -128.57 126.58 40.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -118.21 117.34 28.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.451 0.643 . . . . 0.0 109.887 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.849 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -108.21 113.0 25.78 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.312 -179.664 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.4 m -105.8 153.86 21.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.499 . . . . 0.0 112.043 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.473 HD12 ' CE2' ' A' ' 6' ' ' TRP . 50.5 mt -131.89 137.41 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.59 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -131.14 162.47 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -110.49 128.79 55.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.237 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -159.12 89.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.402 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.84 -134.23 43.74 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.832 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -82.83 7.16 15.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.267 0.534 . . . . 0.0 110.771 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -123.29 152.12 41.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.503 0.668 . . . . 0.0 111.904 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.7 ' HE2' HD21 ' A' ' 64' ' ' LEU . 40.9 m-85 -112.1 166.97 10.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.441 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.5 119.34 28.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.046 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.9 119.74 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.953 0.406 . . . . 0.0 111.664 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -117.3 111.48 19.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.1 mt-10 -104.32 127.28 51.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 0.0 111.281 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.3 150.91 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.829 ' CB ' HD13 ' A' ' 30' ' ' LEU . 5.0 m -149.51 -170.96 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.665 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -57.82 -74.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -122.48 15.06 10.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.405 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -114.4 162.89 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -134.27 134.05 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.465 HG21 ' OH ' ' A' ' 70' ' ' TYR . 3.9 mt -148.69 151.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.607 ' O ' HG13 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -179.55 154.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.718 HG23 ' CE2' ' A' ' 62' ' ' PHE . 3.6 m -161.52 106.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 47' ' ' PHE . 6.1 p -63.68 152.06 8.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.718 ' CE2' HG23 ' A' ' 60' ' ' VAL . 33.2 m-85 -147.29 165.35 30.37 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.6 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 6.3 tt0 -139.05 150.87 46.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.717 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.7 HD21 ' HE2' ' A' ' 47' ' ' PHE . 28.6 mt -69.84 104.29 2.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.67 25.3 7.73 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.939 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 64.2 t -131.73 145.81 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.216 0.531 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.698 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.6 m -56.54 162.22 2.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.394 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -101.86 159.99 14.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.454 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -144.21 146.31 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.98 0.419 . . . . 0.0 111.726 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.465 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -166.86 56.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.723 179.263 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -71.38 132.14 44.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.014 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER 179.64 138.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.543 ' H ' HD13 ' A' ' 72' ' ' LEU . . . -58.13 -70.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.22 70.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.41 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . 155.23 -21.73 0.57 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.648 HG22 ' NH1' ' A' ' 95' ' ' ARG . 99.0 m 63.27 141.72 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 121.173 0.511 . . . . 0.0 111.052 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -62.22 138.11 58.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.522 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.749 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -134.68 126.9 30.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.163 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 16.2 mtt180 -134.55 126.74 29.92 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.698 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -143.75 -114.31 0.97 Allowed Glycine 0 C--O 1.226 -0.402 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.86 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 80' ' ' GLY . 15.3 p -158.74 174.92 14.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.438 0.619 . . . . 0.0 111.461 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.597 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -147.91 135.67 20.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.51 179.403 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -152.81 149.34 28.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 0.0 111.63 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.794 ' HG ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -116.57 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.388 179.562 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.7 94.51 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.195 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 63.93 -107.49 1.8 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.626 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -107.72 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.632 0.253 . . . . 0.0 111.457 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.807 ' C ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -138.66 132.74 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.718 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.807 HD13 ' C ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -114.29 142.93 45.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.672 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.04 137.02 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.336 0.589 . . . . 0.0 112.093 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' ' 82' ' ' TRP . . . -135.87 157.59 23.43 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.11 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' O ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -155.57 159.31 39.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.256 0.528 . . . . 0.0 111.846 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.857 ' HB2' HD22 ' A' ' 102' ' ' LEU . 92.5 m-85 -134.39 173.59 11.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.899 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -151.79 137.38 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.539 178.32 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.648 ' NH1' HG22 ' A' ' 76' ' ' THR . 0.0 OUTLIER -81.58 150.1 28.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.0 111.222 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -24.63 48.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.423 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -49.44 -37.03 24.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -178.48 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.462 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 50.61 63.66 4.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.742 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.5 m-80 -76.42 138.74 40.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.98 135.3 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.515 0.674 . . . . 0.0 112.551 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.6 tt -143.88 110.61 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.741 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.766 ' HB2' HG12 ' A' ' 118' ' ' VAL . 2.0 m120 -105.91 153.25 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.161 0.505 . . . . 0.0 111.817 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.511 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.65 116.72 7.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.554 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.12 120.15 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.803 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.561 ' O ' HD22 ' A' ' 89' ' ' LEU . 37.6 mtt180 -115.75 116.21 27.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.798 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.1 mp0 -114.64 135.67 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.409 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.047 HD13 HD21 ' A' ' 113' ' ' LEU . 6.6 mm -82.13 98.03 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.576 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 109' ' ' ILE . 4.9 tp -90.84 55.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.925 0.869 . . . . 0.0 110.218 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.55 -127.13 8.21 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 120.145 -1.026 . . . . 0.0 111.153 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -79.17 -9.64 59.61 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.595 0.236 . . . . 0.0 110.563 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 112' ' ' GLU . 1.6 mp0 -111.69 165.5 11.98 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.794 0.331 . . . . 0.0 110.849 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.047 HD21 HD13 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -121.43 128.93 52.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.108 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.401 HG13 ' OE1' ' A' ' 107' ' ' GLU . 2.1 p -106.27 107.66 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 0.9 OUTLIER -105.69 140.66 38.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.0 112.432 -178.296 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -133.81 112.45 11.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.22 178.872 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.511 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 1.4 m-85 -110.03 156.34 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.333 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.1 p -150.54 134.74 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.719 0.295 . . . . 0.0 111.174 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.711 ' CD1' HD12 ' A' ' 102' ' ' LEU . 33.2 t80 -147.75 115.54 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.564 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.6 OUTLIER 24.95 89.29 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.253 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.94 -8.02 13.25 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.89 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.873 HG12 ' CE1' ' A' ' 17' ' ' PHE . 15.2 t -107.3 143.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.972 0.386 . . . . 0.0 111.51 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 117' ' ' TYR . 3.1 tt0 -154.6 115.7 4.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.164 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -121.26 142.95 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.0 111.802 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.838 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.3 OUTLIER -108.06 164.54 12.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.9 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.525 ' NE ' HG23 ' A' ' 8' ' ' VAL . 1.6 ttt180 -161.5 122.78 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.544 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 3.3 mm -91.79 140.98 15.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.851 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 32.7 t80 -118.93 153.66 34.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 0.7 OUTLIER -143.84 159.28 42.81 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.849 177.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -108.45 151.85 25.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 0.0 111.895 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.239 -0.886 . . . . 0.35 110.991 179.913 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' KTR . . . . . 0.53 ' C6 ' ' CE1' ' A' ' 93' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.895 0.379 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.43 -45.74 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.45 111.07 0.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.66 179.57 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.949 0.404 . . . . 0.0 111.02 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -88.67 124.0 33.66 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.882 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.3 m0 -115.51 127.05 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 111.952 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.526 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -118.9 117.04 27.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.628 177.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 126' ' ' ARG . 3.6 p -68.57 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.606 -178.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.496 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 8.9 t70 -98.23 -75.12 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.524 ' CG ' HG12 ' A' ' 127' ' ' ILE . 0.6 OUTLIER -117.11 164.18 15.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.0 111.002 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 53.2 p -141.29 164.17 30.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.947 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 127.38 13.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.7 m-20 62.12 15.2 7.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.105 0.479 . . . . 0.0 111.061 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.494 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -55.35 -41.01 71.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.93 -0.766 . . . . 0.0 108.93 179.132 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -58.51 -35.3 72.05 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.928 ' CG ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -47.49 -40.32 18.19 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.55 179.128 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.832 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.4 m-85 -76.77 -25.61 53.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.521 ' HG3' ' CD ' ' A' ' 28' ' ' ARG . 13.7 mmt -74.28 -29.75 61.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.535 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -87.2 -60.89 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.732 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -53.42 -47.32 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.47 -27.27 41.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 0.0 111.198 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.4 44.43 5.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.97 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 8.7 t -80.2 126.14 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.764 0.316 . . . . 0.0 110.503 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.6 117.41 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 111.45 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.809 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -49.04 -36.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.187 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.4 -59.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -29.71 61.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.063 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.521 ' CD ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -60.67 -31.34 70.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.161 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.638 ' HE2' HD12 ' A' ' 25' ' ' ILE . 2.4 mttm -54.32 -49.53 69.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.478 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.84 HD11 ' CB ' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -77.41 -20.83 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.178 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -93.03 -13.73 28.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.664 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ARG . . . -54.75 -48.22 72.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 4.1 p-80 162.85 -40.38 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.77 -53.1 56.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -109.6 42.21 1.53 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.328 . . . . 0.0 111.243 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 31' ' ' ALA . 3.4 tm? -111.82 118.83 36.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 0.0 111.234 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -121.72 115.96 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.764 179.353 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.1 tp -105.37 125.76 51.34 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.691 ' O ' HD13 ' A' ' 40' ' ' ILE . 1.8 m -113.25 152.37 29.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 111.803 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -137.14 142.24 37.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.103 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.704 HG23 ' OG1' ' A' ' 48' ' ' THR . 0.3 OUTLIER -149.45 152.73 36.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.229 179.056 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.79 129.87 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.0 111.961 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -156.97 88.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.083 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.37 -143.34 38.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.621 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.09 0.43 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.176 0.488 . . . . 0.0 110.604 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.807 ' HE2' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -109.73 147.97 32.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.404 0.621 . . . . 0.0 111.559 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.881 ' CE2' HD21 ' A' ' 64' ' ' LEU . 27.0 m-85 -111.33 142.83 43.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.011 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.704 ' OG1' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -106.11 119.54 39.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.92 0.39 . . . . 0.0 110.007 179.253 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -114.14 126.59 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 112.47 19.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.902 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 56.7 tt0 -90.96 117.42 29.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -101.62 140.13 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.241 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.589 ' HB2' HD13 ' A' ' 30' ' ' LEU . 84.8 p -149.21 161.44 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.598 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -91.91 15.73 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.561 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.84 ' CB ' HD11 ' A' ' 30' ' ' LEU . 2.4 t80 -119.02 -26.96 5.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.677 0.275 . . . . 0.0 111.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -168.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.24 146.34 27.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' A' ' 51' ' ' GLU . 18.2 mt -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 177.65 175.46 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 61' ' ' VAL . 14.1 p -178.85 161.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.388 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.807 HG22 ' HE2' ' A' ' 46' ' ' LYS . 2.6 t -92.41 146.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CZ ' ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -124.54 145.77 49.38 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.814 179.332 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.62 131.63 14.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.072 0.463 . . . . 0.0 111.173 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.881 HD21 ' CE2' ' A' ' 47' ' ' PHE . 8.5 mt -72.12 105.47 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.754 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.85 14.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.315 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 67' ' ' THR . 22.1 t -129.42 158.55 42.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.034 0.445 . . . . 0.0 110.369 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.7 m -84.35 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.631 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.28 151.71 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.427 179.202 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -122.3 118.69 29.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.005 0.431 . . . . 0.0 111.946 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -143.26 33.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.33 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 13.1 p-10 -86.95 86.77 7.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.0 mt -153.07 118.46 5.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.27 -25.26 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.38 -28.52 70.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.004 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.81 -71.88 0.18 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.546 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.432 ' CG2' ' C12' ' A' ' 201' ' ' KTR . 6.3 t -160.86 -161.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.0 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 10.7 tp10 -149.43 71.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.751 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.827 HD21 HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -115.17 139.35 49.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.453 . . . . 0.0 111.015 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -124.38 122.12 36.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.861 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.636 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.08 -153.37 5.94 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 119.63 -1.271 . . . . 0.0 114.185 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -155.47 136.08 13.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.427 0.291 . . . . 0.0 110.571 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.797 ' CZ3' HD13 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -111.61 127.6 55.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.94 149.2 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.675 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -118.06 128.52 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.146 0.498 . . . . 0.0 111.384 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.62 103.72 8.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.386 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.93 -108.03 2.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.322 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -115.02 20.83 14.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.553 0.216 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -139.81 158.48 44.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.868 0.366 . . . . 0.0 111.201 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.797 HD13 ' CZ3' ' A' ' 82' ' ' TRP . 2.0 pp -127.83 144.85 51.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.741 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.674 HG22 ' HE3' ' A' ' 92' ' ' LYS . 1.1 mp -128.07 124.21 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.0 112.3 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 82' ' ' TRP . . . -116.09 150.34 18.64 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.156 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.674 ' HE3' HG22 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -152.71 124.66 7.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.363 . . . . 0.0 110.471 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.733 ' HB2' HD22 ' A' ' 102' ' ' LEU . 87.2 m-85 -100.22 172.26 7.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.454 0.645 . . . . 0.0 111.926 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.615 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -149.1 123.97 9.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.786 179.168 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.499 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 mtp85 -74.09 140.79 45.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.199 0.524 . . . . 0.0 111.387 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.37 -21.4 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.976 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -51.26 -49.44 61.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.222 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.63 29.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.87 51.13 57.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.592 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.615 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 93.0 m-20 -75.23 142.1 43.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 0.6 OUTLIER -82.52 136.09 34.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.45 0.643 . . . . 0.0 112.288 -178.608 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.827 HD13 HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -137.11 113.14 9.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.965 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.777 ' HB2' HG12 ' A' ' 118' ' ' VAL . 5.0 m-20 -104.7 149.15 25.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.273 0.559 . . . . 0.0 112.064 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.522 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -146.33 117.63 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.478 178.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.6 t -112.94 128.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.669 ' HD3' HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -120.36 115.48 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.829 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.549 ' O ' HD13 ' A' ' 113' ' ' LEU . 3.3 pt-20 -127.76 148.41 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.988 HD13 HD11 ' A' ' 113' ' ' LEU . 7.5 mm -85.92 93.16 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.645 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.516 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 3.1 tp -84.75 115.7 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.09 -126.33 33.15 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.829 -1.177 . . . . 0.0 111.714 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.22 13.52 33.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.924 0.392 . . . . 0.0 110.359 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.518 ' O ' HD22 ' A' ' 113' ' ' LEU . 17.5 mt-10 -132.85 178.56 6.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.283 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.988 HD11 HD13 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -119.05 130.02 55.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 111.847 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 114' ' ' VAL . 7.9 p -104.41 122.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.129 178.388 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 3.4 mt-30 -112.65 138.77 48.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.338 0.589 . . . . 0.0 112.397 -178.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.581 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -138.24 110.82 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.495 179.044 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 6.7 m-85 -111.57 157.42 20.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.194 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.777 HG12 ' HB2' ' A' ' 103' ' ' ASN . 7.2 p -151.31 141.16 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 120.704 0.288 . . . . 0.0 111.24 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.781 ' CG ' HD12 ' A' ' 102' ' ' LEU . 65.6 t80 -155.55 108.39 2.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.729 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.482 ' HG3' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 28.1 89.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.402 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 79.92 -31.58 2.26 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.784 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.928 HG13 ' CG ' ' A' ' 16' ' ' LYS . 12.3 t -83.06 146.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 0.0 111.985 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 3.8 tt0 -162.07 115.58 1.81 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.453 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -118.87 135.8 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.169 0.509 . . . . 0.0 111.475 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -106.83 158.16 17.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.654 ' HD3' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -162.78 122.85 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.558 -0.857 . . . . 0.0 113.051 -178.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 10' ' ' ARG . 2.2 mm -89.95 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.882 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 13.7 t80 -130.63 155.39 46.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -143.59 161.98 37.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.203 177.532 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -109.06 151.55 26.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.125 0.488 . . . . 0.0 111.738 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.274 -0.87 . . . . 0.35 110.963 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' KTR . . . . . 0.551 ' H5 ' ' HE1' ' A' ' 93' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.634 ' CE1' HD23 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -71.4 -54.99 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -52.74 104.38 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.808 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.03 -178.62 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.17 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' CE ' ' A' ' 37' ' ' LYS . 96.0 m -88.88 116.76 27.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.871 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.7 m0 -113.73 130.71 56.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.488 0.661 . . . . 0.0 111.736 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.524 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.4 pttt -117.84 123.96 47.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.358 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.763 HG23 ' HD3' ' A' ' 126' ' ' ARG . 1.8 p -72.81 131.27 35.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.114 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.1 t70 -88.31 -61.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 127' ' ' ILE . 0.1 OUTLIER -137.96 160.25 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.878 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.734 ' HG ' ' HD2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -142.78 137.52 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.183 0.516 . . . . 0.0 111.101 179.376 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HG3' ' CB ' ' A' ' 125' ' ' LYS . 3.8 pt-20 -117.38 127.23 53.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.447 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 3.6 m-20 68.1 8.57 6.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.734 ' HD2' ' HG ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -56.18 -45.88 79.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.24 -36.11 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.247 0.546 . . . . 0.0 109.727 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.948 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -47.96 -39.53 19.62 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.745 179.077 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.892 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.8 m-85 -73.6 -35.67 65.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.839 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.727 ' HE3' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -71.15 -21.78 62.14 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.865 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -85.8 -59.86 2.18 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.992 -178.085 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.82 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.0 tptp -64.2 -38.9 92.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.735 0.302 . . . . 0.0 111.123 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.55 ' SD ' HD11 ' A' ' 102' ' ' LEU . 4.6 mtp -85.01 -17.63 36.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.071 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.78 7.08 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.237 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.727 HG21 ' HE3' ' A' ' 18' ' ' MET . 73.0 t -81.65 130.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.838 0.352 . . . . 0.0 110.915 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 29.1 t30 -43.67 162.28 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.372 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 26' ' ' VAL . 4.0 tp -86.93 -45.86 16.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.227 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' N ' HG23 ' A' ' 25' ' ' ILE . 17.4 t -51.3 -49.32 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -76.8 -32.22 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.532 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 1.2 tmm_? -73.69 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.227 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB3' HD23 ' A' ' 30' ' ' LEU . 1.7 tptp -44.54 -58.47 2.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.762 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' A' ' 53' ' ' SER . 0.3 OUTLIER -94.37 -31.72 13.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.134 0.492 . . . . 0.0 110.484 -179.67 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.817 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -69.14 -14.0 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.037 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -54.84 -45.97 74.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.2 p-80 163.54 -37.37 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' OD1' ' ND2' ' A' ' 35' ' ' ASN . 9.9 t70 -67.09 -50.99 59.79 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.49 ' ND2' ' N ' ' A' ' 35' ' ' ASN . 0.0 OUTLIER -121.93 79.77 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.926 0.393 . . . . 0.0 111.69 -178.9 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.817 HD13 ' HA ' ' A' ' 31' ' ' ALA . 14.2 tp -135.18 141.01 45.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.489 ' CE ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -128.22 118.58 23.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.046 179.631 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.714 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 2.1 tp -104.86 134.48 47.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.189 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.599 ' O ' HG12 ' A' ' 49' ' ' VAL . 87.6 m -123.65 161.11 25.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.0 111.688 -178.308 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 2' ' ' PHE . 46.5 mt -138.81 146.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.022 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -136.82 163.8 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 15.7 pt20 -119.47 124.53 46.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -159.02 92.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.579 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.74 48.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.897 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 5.56 21.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.004 0.402 . . . . 0.0 110.79 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.765 ' HE2' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.3 144.52 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 111.514 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 5.5 m-30 -111.57 165.92 11.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.807 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.815 HG23 HG23 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -125.29 119.65 29.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.442 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -104.71 118.96 52.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.958 0.408 . . . . 0.0 110.937 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' H ' ' HB ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -107.98 119.31 39.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.885 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 7.0 mt-10 -107.36 117.82 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -132.55 143.22 49.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.0 111.279 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.734 ' HB2' HD12 ' A' ' 30' ' ' LEU . 48.8 m -149.85 146.94 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.722 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 38.05 -93.69 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.865 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -122.96 -27.05 4.29 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.672 0.272 . . . . 0.0 111.301 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -57.43 173.2 0.28 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.895 0.379 . . . . 0.0 111.191 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -141.67 131.38 24.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.408 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 7.3 mt -142.86 152.98 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.796 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 49' ' ' VAL . 7.2 p -172.94 97.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.742 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.815 HG23 HG23 ' A' ' 48' ' ' THR . 1.9 p -60.04 155.31 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 17.3 m-85 -153.55 164.99 37.28 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.296 -0.561 . . . . 0.0 112.359 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 36.9 tt0 -127.72 152.49 47.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.028 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 33.4 mt -77.37 105.58 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.43 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.57 22.98 9.78 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.912 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 54.9 t -130.08 139.56 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.259 0.552 . . . . 0.0 110.446 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -50.21 145.53 5.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.512 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.649 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -83.02 160.62 21.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.104 178.836 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -142.64 140.54 31.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 111.847 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.455 ' CE1' ' C15' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -170.79 41.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.19 179.326 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -51.86 156.32 1.51 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.417 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.62 83.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.551 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.99 -27.06 4.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.458 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.24 27.04 9.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -135.36 -77.26 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.471 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 77' ' ' GLU . 14.1 t -161.37 -44.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.597 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' N ' HG23 ' A' ' 76' ' ' THR . 1.3 tt0 66.26 109.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.482 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.846 HD21 HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.67 124.93 24.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 3.9 mtt85 -133.0 121.39 22.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.254 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.632 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.02 -111.14 0.84 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.345 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.9 p -158.35 175.62 13.49 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.02 0.438 . . . . 0.0 111.255 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 2.3 t90 -155.91 127.67 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.304 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.58 149.49 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -104.5 133.64 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.732 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.45 94.42 4.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.06 -109.6 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.93 20.87 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.741 0.305 . . . . 0.0 111.032 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 156.79 48.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.695 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.815 HD11 ' NE ' ' A' ' 106' ' ' ARG . 4.1 pp -129.57 123.09 30.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.656 HD12 HG13 ' A' ' 105' ' ' VAL . 1.9 mm -100.67 137.48 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.259 0.552 . . . . 0.0 111.668 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -136.73 152.5 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.092 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 157.79 41.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 0.0 111.23 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.885 ' HB2' HD22 ' A' ' 102' ' ' LEU . 34.1 m-85 -136.29 173.27 11.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.666 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -148.19 132.45 17.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.994 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.429 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 14.7 mtp180 -79.25 151.96 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.178 0.513 . . . . 0.0 111.327 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -23.8 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.22 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.63 -36.25 10.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.93 0.395 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.97 39.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.497 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . 0.504 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.34 65.68 2.63 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.587 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.638 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 54.2 m-80 -83.43 135.33 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.372 . . . . 0.0 110.169 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 28.5 mt-10 -69.99 136.13 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.0 112.027 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.885 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.1 tt -142.6 111.22 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.829 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.786 ' HB2' HG12 ' A' ' 118' ' ' VAL . 3.2 m120 -104.32 150.45 24.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.322 0.582 . . . . 0.0 112.24 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.51 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -146.32 117.06 7.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.248 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' VAL . . . . . 0.656 HG13 HD12 ' A' ' 90' ' ' ILE . 22.0 t -119.49 125.3 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.815 ' NE ' HD11 ' A' ' 89' ' ' LEU . 36.0 mtt180 -107.73 115.64 30.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.657 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.45 143.29 45.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 0.85 HD13 HD12 ' A' ' 113' ' ' LEU . 9.2 mm -88.86 94.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.835 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.0 tp -86.26 58.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.824 0.821 . . . . 0.0 110.519 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.39 -129.42 9.28 Favored Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.137 -1.03 . . . . 0.0 111.733 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.96 -4.67 42.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.546 0.212 . . . . 0.0 110.83 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 42.2 mt-10 -124.83 173.97 8.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.995 0.426 . . . . 0.0 111.144 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.85 HD12 HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -121.11 130.07 53.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.076 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -105.25 107.33 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.487 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -95.55 140.6 30.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.204 -178.405 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.749 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -138.13 109.64 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.766 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.55 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 4.9 m-85 -109.51 159.84 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.173 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.786 HG12 ' HB2' ' A' ' 103' ' ' ASN . 12.3 p -151.52 139.74 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.652 0.263 . . . . 0.0 110.904 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.79 ' CD1' HD12 ' A' ' 102' ' ' LEU . 39.7 t80 -155.03 114.43 3.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 0.0 110.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.44 ' CG ' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 26.08 89.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.339 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 72.85 -6.54 12.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.737 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.948 HG13 ' HG2' ' A' ' 16' ' ' LYS . 13.2 t -107.79 143.8 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.0 111.667 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.467 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.0 tt0 -155.37 114.17 3.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.715 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -120.22 142.15 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.785 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.749 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.81 164.61 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.763 ' HD3' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -159.43 124.57 4.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.917 -0.713 . . . . 0.0 112.812 -178.612 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.501 HG12 ' HG3' ' A' ' 10' ' ' ARG . 5.0 mm -85.39 148.69 4.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.733 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.871 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 50.2 t80 -130.18 153.9 48.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 32.1 mmtm -143.49 157.91 44.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.058 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -108.07 151.15 26.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.05 0.453 . . . . 0.0 111.664 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.206 -0.902 . . . . 0.35 110.923 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' KTR . . . . . 0.715 ' O2 ' HD21 ' A' ' 102' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' A' ' 84' ' ' LEU . 2.1 m-85 -89.43 -49.61 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 107.24 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.97 178.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.963 0.411 . . . . 0.0 111.346 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.793 HG22 ' HE2' ' A' ' 37' ' ' LYS . 77.6 m -88.64 125.0 34.62 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.853 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 19.4 m0 -116.73 127.84 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 112.895 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 1.6 pttt -116.65 122.55 44.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.198 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.712 HG23 ' HD3' ' A' ' 126' ' ' ARG . 8.5 p -67.02 130.82 32.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.943 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.0 t70 -89.78 -80.18 0.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.154 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.582 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.3 ptt180 -113.75 156.21 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.044 0.45 . . . . 0.0 110.755 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 p -130.23 144.3 51.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -137.01 132.4 34.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.376 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 0.9 OUTLIER 62.49 11.87 4.98 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.464 0.65 . . . . 0.0 111.002 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.547 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' MET . 5.1 m-20 -54.2 -26.8 30.23 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.726 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.946 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -55.7 -44.34 77.31 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.306 179.159 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.778 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.3 m-30 -70.65 -25.11 62.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.961 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.643 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.4 -30.77 70.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.34 178.91 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.79 -60.02 2.07 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' CG ' HG23 ' A' ' 122' ' ' VAL . 0.6 OUTLIER -50.33 -47.99 55.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 111.455 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.724 ' SD ' HG22 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -87.47 -27.66 22.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 -179.678 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.61 54.47 2.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.084 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.724 HG22 ' SD ' ' A' ' 21' ' ' MET . 6.6 t -87.52 122.05 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 4.5 m-80 -63.17 178.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.274 0.559 . . . . 0.0 111.516 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.0 tt -90.76 -31.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -50.7 -51.04 21.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -85.62 -31.48 22.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.573 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.5 tmm_? -74.75 -20.85 59.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.774 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ILE . 5.5 mttm -47.21 -46.09 23.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.518 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -99.79 -35.13 9.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 110.434 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -68.75 -15.08 63.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.791 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -56.1 -47.78 77.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 16.0 p-80 164.24 -48.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.88 0.371 . . . . 0.0 111.628 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.47 -55.82 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.916 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -111.9 68.94 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.921 0.391 . . . . 0.0 111.305 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 31' ' ' ALA . 25.2 tp -134.27 120.06 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.793 ' HE2' HG22 ' A' ' 5' ' ' THR . 1.1 tmtp? -116.49 115.96 26.76 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.961 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.815 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 5.6 tp -108.15 123.33 48.57 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.483 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 43.5 m -118.48 153.6 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 112.251 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.737 HD12 ' CE2' ' A' ' 6' ' ' TRP . 41.5 mt -131.81 119.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -111.33 176.09 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.818 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' H ' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -113.7 123.55 50.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.454 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -154.37 88.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.539 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.52 -138.14 37.43 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.971 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.8 1.12 21.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.104 0.452 . . . . 0.0 110.833 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -113.68 149.21 35.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.323 0.582 . . . . 0.0 111.677 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' PHE . 20.9 m-85 -109.03 132.72 53.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.488 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 128.54 37.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.695 0.283 . . . . 0.0 110.538 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.923 HG21 ' CE2' ' A' ' 62' ' ' PHE . 10.2 t -106.92 124.96 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 111.668 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' H ' ' HB ' ' A' ' 39' ' ' THR . 11.1 ttmt -117.86 112.24 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.225 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.583 ' OE2' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -98.48 142.76 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.0 111.116 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -129.86 143.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.818 ' HB3' HD22 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -147.28 -178.52 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.795 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.89 -16.71 15.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.587 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.862 ' HB2' HD21 ' A' ' 30' ' ' LEU . 12.1 m-85 -111.09 -26.68 9.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.664 0.269 . . . . 0.0 111.306 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.18 -166.85 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 111.047 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -135.37 159.23 42.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.546 HG21 ' OH ' ' A' ' 70' ' ' TYR . 1.7 mt -150.11 162.33 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.781 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -175.71 169.98 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.361 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.612 HG13 ' CE1' ' A' ' 62' ' ' PHE . 4.2 p 178.07 125.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.21 142.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.863 0.363 . . . . 0.0 110.292 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' PHE . . . . . 0.923 ' CE2' HG21 ' A' ' 49' ' ' VAL . 21.4 m-30 -122.14 154.04 37.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.56 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.661 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -149.93 154.36 38.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.794 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -81.88 99.11 8.86 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.651 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.42 24.82 5.21 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.193 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 63' ' ' GLU . 1.4 p -122.31 161.28 23.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.032 0.444 . . . . 0.0 110.403 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -87.45 143.62 27.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.552 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.647 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -82.42 156.12 24.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.87 -179.585 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -142.6 118.83 10.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TYR . . . . . 0.546 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -157.17 64.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.287 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -59.31 2.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.922 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 73' ' ' ALA . 4.8 tt 63.47 120.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.475 ' O ' HD23 ' A' ' 72' ' ' LEU . . . -53.15 133.92 38.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.341 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 t0 61.16 27.88 17.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.83 -81.59 0.38 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.299 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 t -157.43 -165.68 1.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.908 0.385 . . . . 0.0 111.231 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -155.3 75.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.094 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.877 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -102.76 118.21 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.0 111.374 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ARG . . . . . 0.822 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 1.6 ttp180 -124.85 117.72 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.636 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.27 -126.17 2.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.176 -1.011 . . . . 0.0 112.67 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 80' ' ' GLY . 18.6 p -157.72 175.38 13.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.199 0.523 . . . . 0.0 111.409 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' TRP . . . . . 0.801 ' CZ2' HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -145.83 127.96 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.471 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 90' ' ' ILE . 13.6 m -138.43 149.54 45.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.0 111.344 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -121.46 124.99 45.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.609 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -114.04 94.31 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.767 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.39 -101.5 0.29 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.88 21.07 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.72 0.295 . . . . 0.0 110.794 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -124.39 148.84 47.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.939 0.4 . . . . 0.0 111.084 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . 0.801 HD11 ' CZ2' ' A' ' 82' ' ' TRP . 1.7 tm? -129.7 128.48 42.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -126.53 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.228 0.537 . . . . 0.0 111.957 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLY . . . . . 0.516 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -130.69 156.61 21.75 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.102 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -152.05 158.9 43.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.169 0.484 . . . . 0.0 111.719 -178.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PHE . . . . . 0.647 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 52.2 m-85 -141.69 170.6 15.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.872 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.822 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.62 124.1 8.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.137 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.2 mtp180 -76.25 144.9 40.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.261 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -21.76 43.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.7 -38.67 48.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.082 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.79 31.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.6 36.99 66.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.63 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 83.2 m-20 -63.48 136.24 57.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 8.7 mm-40 -83.21 149.36 26.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 0.0 111.702 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.877 HD13 ' CD2' ' A' ' 78' ' ' LEU . 4.3 tt -143.83 111.92 6.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.467 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.719 ' HB2' HG12 ' A' ' 118' ' ' VAL . 3.8 m120 -102.94 150.6 23.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.364 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.443 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -146.04 117.55 8.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.486 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.59 118.49 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.539 ' HD3' HD12 ' A' ' 113' ' ' LEU . 3.5 ttm180 -114.17 116.26 28.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.22 137.38 52.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.597 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 113' ' ' LEU . 8.4 mm -75.1 83.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.5 tp -75.42 118.53 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 48.98 -121.13 7.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.892 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 15.91 27.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.445 . . . . 0.0 110.261 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.524 ' O ' HD22 ' A' ' 113' ' ' LEU . 26.0 mt-10 -132.8 177.79 7.37 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.421 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 1.004 HD11 HD13 ' A' ' 108' ' ' ILE . 2.2 mm? -119.76 130.35 54.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.063 0.459 . . . . 0.0 111.864 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 114' ' ' VAL . 6.3 p -105.53 107.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.348 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.2 mt-30 -94.18 138.89 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.191 0.519 . . . . 0.0 112.209 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.856 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.93 114.35 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.747 179.032 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 117' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.3 m-85 -115.95 156.51 26.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.494 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' VAL . . . . . 0.719 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.9 p -150.98 129.76 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 120.671 0.272 . . . . 0.0 111.511 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' TYR . . . . . 0.605 ' HB2' HD12 ' A' ' 102' ' ' LEU . 43.1 t80 -139.94 116.16 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.471 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 9.6 mm-40 25.03 89.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.998 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.2 -36.99 2.87 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.676 -0.773 . . . . 0.0 114.65 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.946 HG13 ' HG2' ' A' ' 16' ' ' LYS . 3.2 t -95.67 144.26 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.491 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 3.7 tt0 -140.9 117.59 10.96 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.314 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -120.4 136.08 54.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.0 111.525 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.856 ' HG3' HG23 ' A' ' 116' ' ' THR . 4.3 mtmt -108.04 164.81 11.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.489 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.712 ' HD3' HG23 ' A' ' 8' ' ' VAL . 4.6 ttm180 -159.41 116.22 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.188 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ILE . . . . . 0.582 HG12 ' HG3' ' A' ' 10' ' ' ARG . 3.7 mm -80.87 138.08 20.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' PHE . . . . . 0.853 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 29.9 t80 -117.89 153.9 32.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.497 0.665 . . . . 0.0 112.764 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 3.5 mmmm -143.01 161.87 36.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.076 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 151.72 22.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.171 0.51 . . . . 0.0 111.939 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.185 -0.912 . . . . 0.35 110.953 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' KTR . . . . . 0.501 ' H2 ' ' CE1' ' A' ' 14' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.868 0.366 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.896 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 1.9 m-85 -89.5 -48.86 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.47 110.84 0.61 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.4 178.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.409 . . . . 0.0 111.124 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.2 m -88.79 121.0 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.874 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 19.3 m0 -114.46 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.512 0.672 . . . . 0.0 112.091 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.532 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -120.53 112.98 19.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.255 178.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.839 HG21 ' HD2' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -64.2 139.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.098 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -100.84 -73.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.222 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.592 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.1 ptp85 -118.39 161.82 19.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 12.7 p -139.04 161.97 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -138.99 129.64 26.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.676 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 5.8 m-20 59.6 16.59 5.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.124 0.488 . . . . 0.0 111.19 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 9.4 t80 -56.74 -44.49 81.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 18' ' ' MET . 24.6 t0 -57.7 -30.63 65.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.616 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.999 ' HG2' HG13 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -51.97 -42.72 63.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.493 179.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.899 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.1 m-85 -71.09 -30.4 66.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.784 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.731 ' HE3' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -64.94 -32.05 73.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.181 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -87.75 -60.7 1.9 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.81 ' HB2' HG21 ' A' ' 122' ' ' VAL . 2.0 tptp -58.36 -38.19 76.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.0 111.36 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.474 ' HG2' ' CD2' ' A' ' 119' ' ' TYR . 4.9 mtm -90.08 -17.54 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.959 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.51 50.15 21.86 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.937 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.731 HG21 ' HE3' ' A' ' 18' ' ' MET . 5.7 t -87.18 125.66 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.789 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.606 HD21 HG23 ' A' ' 26' ' ' VAL . 7.0 t-20 -50.34 156.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.183 0.516 . . . . 0.0 111.236 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.454 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 14.4 tt -88.72 -40.21 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.242 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 HD21 ' A' ' 24' ' ' ASN . 22.5 t -52.84 -44.16 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.209 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -32.36 45.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.185 0.517 . . . . 0.0 109.953 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.2 tmm_? -73.24 -20.2 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.364 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -42.09 -56.43 2.85 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.613 HD13 ' H ' ' A' ' 54' ' ' ALA . 11.7 mt -98.22 -21.98 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.056 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.789 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -78.85 -14.67 59.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.576 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . . . -55.84 -48.24 75.83 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 6.3 p-80 165.26 -39.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 111.548 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 5.4 p30 -54.54 -58.06 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.878 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.53 63.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.967 0.413 . . . . 0.0 111.022 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 31' ' ' ALA . 3.5 tm? -120.83 127.07 51.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.5 tppt? -115.52 119.98 37.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.872 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.874 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 4.9 tp -112.22 111.75 22.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.376 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.425 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 58.5 m -100.66 144.89 29.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.932 0.396 . . . . 0.0 111.519 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.695 HD12 ' CE2' ' A' ' 6' ' ' TRP . 77.3 mt -122.4 125.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.203 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.65 66.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.167 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 44.3 mt-30 -51.51 119.58 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.77 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.81 100.97 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.03 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.77 -128.87 45.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.691 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.69 15.11 8.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 117.288 0.544 . . . . 0.0 110.646 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -138.16 137.68 37.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.234 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' PHE . 10.6 m-30 -112.07 132.43 54.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.71 137.92 31.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.623 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.771 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 18.7 t -119.56 111.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.989 0.423 . . . . 0.0 111.514 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.425 ' H ' ' HB ' ' A' ' 39' ' ' THR . 16.8 tptm -107.01 111.79 24.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.109 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.9 mt-10 -96.9 134.1 40.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.071 0.462 . . . . 0.0 111.382 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -116.14 140.07 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.597 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.5 171.53 16.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.781 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.613 ' H ' HD13 ' A' ' 30' ' ' LEU . . . -51.71 -69.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.259 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.52 -26.69 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 153.94 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 111.008 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.52 147.78 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 51' ' ' GLU . 3.3 mt -146.2 155.41 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 1.5 tt0 -169.41 144.22 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.838 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 62' ' ' PHE . 5.6 p -156.79 121.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.301 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.499 ' HB ' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -75.73 150.39 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 49' ' ' VAL . 21.6 m-30 -124.89 151.24 45.6 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 120.821 0.343 . . . . 0.0 110.487 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 19.2 tt0 -149.37 118.39 6.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.466 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 83' ' ' SER . 44.5 mt -60.03 107.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.0 110.742 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.26 25.55 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.967 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 67' ' ' THR . 48.5 t -136.54 160.84 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.379 . . . . 0.0 110.412 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.66 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -84.07 148.3 26.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.221 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.585 ' CE1' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -83.28 153.82 24.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.806 179.16 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -136.55 126.59 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.0 111.436 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 179.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.696 0.284 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.828 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.82 124.41 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.956 0.408 . . . . 0.0 111.242 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.803 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -128.1 125.13 38.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.921 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.66 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -146.03 -120.17 1.27 Allowed Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.01 -1.09 . . . . 0.0 112.815 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.3 p -158.02 175.45 13.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.695 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -152.29 128.19 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 179.47 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.416 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -147.1 149.25 32.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -119.47 129.11 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -115.55 94.52 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.75 -103.77 1.7 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.223 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -114.53 20.98 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.638 0.256 . . . . 0.0 111.219 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -134.3 142.68 47.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 111.218 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.896 HD23 ' CZ ' ' A' ' 2' ' ' PHE . 3.8 pp -116.3 139.48 50.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.848 HG22 ' HE3' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -128.54 95.73 2.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 111.845 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 104' ' ' THR . . . -85.17 167.75 41.91 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.938 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.848 ' HE3' HG22 ' A' ' 90' ' ' ILE . 1.0 OUTLIER -154.88 158.64 39.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.026 0.441 . . . . 0.0 111.81 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.664 ' HB3' HD23 ' A' ' 78' ' ' LEU . 59.1 m-85 -144.88 171.45 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.984 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.803 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -153.71 127.31 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.195 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.478 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -77.1 145.69 37.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.026 0.441 . . . . 0.0 111.095 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.96 -20.27 49.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.981 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -50.69 -49.79 56.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -155.72 30.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.6 49.85 67.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.633 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 23.6 m120 -73.73 137.46 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.29 139.46 33.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.0 111.832 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.828 HD13 ' CD2' ' A' ' 78' ' ' LEU . 4.5 tt -135.5 127.47 29.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.808 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.746 ' HB2' HG12 ' A' ' 118' ' ' VAL . 2.0 m120 -121.31 148.63 44.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.932 0.396 . . . . 0.0 111.663 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 91' ' ' GLY . 4.7 t -146.81 128.39 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.692 HG22 HG23 ' A' ' 90' ' ' ILE . 21.4 t -125.27 114.82 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.638 ' CG ' HD11 ' A' ' 89' ' ' LEU . 28.5 mtt180 -105.93 116.36 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.876 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.0 OUTLIER -113.18 155.42 25.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.72 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 113' ' ' LEU . 4.7 mm -91.32 93.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.538 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.843 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.1 tp -83.75 59.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.803 0.811 . . . . 0.0 110.717 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.69 -127.95 8.41 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 120.034 -1.079 . . . . 0.0 111.977 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.03 -4.3 40.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.751 -0.224 . . . . 0.0 111.149 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HD22 ' A' ' 113' ' ' LEU . 30.7 mt-10 -128.5 175.63 8.38 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.027 0.441 . . . . 0.0 111.168 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 108' ' ' ILE . 1.7 mm? -121.35 130.5 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.188 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.7 p -105.24 108.02 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.783 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 5.3 mt-30 -98.08 139.94 33.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.203 0.525 . . . . 0.0 112.089 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.784 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.08 114.15 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.711 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -114.31 149.7 35.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.746 HG12 ' HB2' ' A' ' 103' ' ' ASN . 10.0 p -139.29 143.21 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.0 110.616 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.539 ' CG ' HD12 ' A' ' 102' ' ' LEU . 68.4 t80 -155.34 104.02 2.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.072 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.9 OUTLIER 26.08 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.222 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 78.52 -19.57 4.78 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.928 -0.653 . . . . 0.0 114.292 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.999 HG13 ' HG2' ' A' ' 16' ' ' LYS . 54.1 t -107.18 108.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.388 0.594 . . . . 0.0 112.472 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.2 OUTLIER -115.96 117.76 31.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.75 178.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.518 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -119.49 135.75 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 111.071 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.784 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.12 164.83 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.839 ' HD2' HG21 ' A' ' 8' ' ' VAL . 7.4 ttp85 -159.96 114.43 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.102 -0.639 . . . . 0.0 112.622 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.592 HG12 ' HG3' ' A' ' 10' ' ' ARG . 4.0 mm -80.78 138.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.859 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 33.5 t80 -117.43 155.75 29.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 38.4 mttm -142.77 161.38 38.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.197 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -108.71 151.55 26.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.494 . . . . 0.0 111.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.224 -0.893 . . . . 0.35 110.941 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.872 0.368 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.593 ' CE1' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -89.48 -55.22 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.3 -175.78 0.15 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.905 0.383 . . . . 0.0 111.3 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -88.95 116.62 27.37 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.859 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.5 m0 -114.37 125.89 54.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.689 0.757 . . . . 0.0 112.177 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.528 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -116.65 123.61 47.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.87 178.185 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.803 HG21 ' HD2' ' A' ' 126' ' ' ARG . 2.6 p -72.99 135.63 27.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.392 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 32.4 t70 -95.04 -75.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.51 ' CG ' ' CG1' ' A' ' 127' ' ' ILE . 0.0 OUTLIER -113.89 155.14 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.694 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 93.3 p -130.26 153.18 48.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.012 0.434 . . . . 0.0 111.094 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.72 123.71 24.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.734 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.521 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 1.8 m120 60.86 14.34 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.594 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.452 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 0.2 OUTLIER -56.61 -43.72 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 18' ' ' MET . 3.6 t70 -56.26 -31.33 63.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.519 178.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.939 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -53.7 -43.66 69.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.473 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.899 ' CE1' HG12 ' A' ' 122' ' ' VAL . 1.9 m-85 -72.18 -23.55 61.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.627 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.617 ' CG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.38 -36.35 74.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.666 178.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.61 -60.94 1.84 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.833 ' HB2' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -52.85 -47.25 67.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.69 0.281 . . . . 0.0 111.265 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.772 ' SD ' HD11 ' A' ' 78' ' ' LEU . 3.5 tmm? -77.16 -28.41 54.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.14 72.03 0.99 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.536 HG12 ' SD ' ' A' ' 21' ' ' MET . 5.9 m -97.04 -178.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.87 120.48 40.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.82 ' O ' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -53.69 -31.81 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.511 HG12 HH22 ' A' ' 56' ' ' ARG . 21.3 t -50.82 -49.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.799 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -32.2 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.0 110.676 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.636 ' HD3' ' HB2' ' A' ' 32' ' ' ALA . 2.5 tmm_? -63.87 -21.61 66.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.199 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.72 ' HE2' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -48.48 -39.83 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 111.177 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' CB ' ' A' ' 53' ' ' SER . 2.1 mt -107.9 -13.82 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.647 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -93.28 -14.43 26.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.719 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -55.62 -47.36 76.7 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.7 p-80 160.11 -38.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 111.414 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.59 -57.88 10.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.676 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -116.15 49.14 1.15 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.0 111.147 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 31' ' ' ALA . 2.8 tm? -102.17 122.78 44.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 1.9 tppp? -114.32 116.76 29.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.093 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.734 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.7 tp -111.26 128.78 56.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.156 -0.929 . . . . 0.0 108.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' HG12 ' A' ' 49' ' ' VAL . 90.3 m -124.41 161.44 25.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.949 0.404 . . . . 0.0 111.645 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.492 HD12 ' CE2' ' A' ' 6' ' ' TRP . 43.0 mt -139.15 128.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.322 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.542 HG22 ' H ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -122.15 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.964 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.542 ' H ' HG22 ' A' ' 41' ' ' THR . 1.8 tm0? -138.13 129.69 27.92 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -155.31 95.78 1.74 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.203 178.285 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.89 -139.72 48.3 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 119.994 -1.098 . . . . 0.0 111.36 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.13 1.21 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.238 0.519 . . . . 0.0 110.907 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.697 ' HZ1' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -109.08 142.21 40.12 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.113 0.482 . . . . 0.0 110.96 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.668 ' C ' ' HE3' ' A' ' 46' ' ' LYS . 21.0 m-30 -109.74 147.76 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.027 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.439 ' OG1' ' HB ' ' A' ' 41' ' ' THR . 0.3 OUTLIER -107.28 120.19 41.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.917 0.389 . . . . 0.0 111.1 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.669 HG22 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -103.16 111.11 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.388 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.98 111.9 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.612 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 -98.33 119.08 36.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.89 142.87 32.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.678 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -149.36 147.79 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.813 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 53' ' ' SER . . . 8.4 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 56' ' ' ARG . 6.2 p90 -122.59 -27.32 4.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.283 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.511 HH22 HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -64.11 -178.35 0.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.64 125.85 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.009 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.449 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 45.4 mt -125.09 147.79 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.733 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 60' ' ' VAL . 30.5 tt0 -158.91 162.05 36.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.117 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 59' ' ' GLU . 23.1 t -160.65 159.66 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.309 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.697 HG22 ' HZ1' ' A' ' 46' ' ' LYS . 2.5 t -126.66 147.84 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.673 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -156.82 124.94 5.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.666 0.746 . . . . 0.0 110.959 179.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 4.3 tt0 -107.9 142.27 38.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.96 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.35 104.3 0.25 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.664 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.67 16.92 29.94 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.01 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -131.73 131.36 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.245 0.545 . . . . 0.0 110.599 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.673 HG21 ' HD3' ' A' ' 79' ' ' ARG . 4.4 m -41.28 142.85 0.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.8 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -81.65 151.68 27.48 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.625 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -124.05 118.58 27.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.133 0.492 . . . . 0.0 112.013 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.463 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 1.5 t80 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.95 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 . . . . . 0 CA--C 1.526 0.057 0 CA-C-O 120.708 0.289 . . . . 0.0 111.282 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.846 HD21 HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -125.05 116.65 22.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.984 0.421 . . . . 0.0 110.533 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.673 ' HD3' HG21 ' A' ' 67' ' ' THR . 0.1 OUTLIER -124.57 121.55 35.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.02 -179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.629 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.52 -123.05 1.64 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.172 -1.013 . . . . 0.0 112.79 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.667 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 19.1 p -157.72 150.4 22.85 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.89 0.376 . . . . 0.0 111.055 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.828 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -127.51 127.07 43.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 179.383 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.25 149.36 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.974 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -120.35 129.84 54.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -119.61 99.32 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.675 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.62 -106.75 2.17 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.355 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -114.59 20.89 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.663 0.268 . . . . 0.0 111.317 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.1 144.53 47.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.404 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.828 HD13 ' CZ2' ' A' ' 82' ' ' TRP . 4.1 pp -114.2 140.38 48.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.752 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.629 HG23 HG22 ' A' ' 105' ' ' VAL . 1.1 mp -128.33 96.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 111.576 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.451 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -84.73 167.11 42.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.023 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.601 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -153.86 155.02 34.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.418 . . . . 0.0 111.457 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.906 ' HB2' HD22 ' A' ' 102' ' ' LEU . 71.8 m-85 -145.35 171.26 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.386 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.522 ' HG2' ' HA2' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -152.61 130.78 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.114 177.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.5 mtp180 -75.82 140.8 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.048 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -22.56 62.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.71 -41.24 55.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -171.71 35.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.666 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.522 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.93 62.75 4.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.754 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 9.9 m-20 -79.3 132.74 36.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.0 110.315 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 30.4 mt-10 -66.93 132.25 47.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.589 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.906 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.8 tt -140.93 111.2 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.402 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.817 ' HB2' HG12 ' A' ' 118' ' ' VAL . 0.6 OUTLIER -104.87 149.67 25.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.221 0.534 . . . . 0.0 111.496 -179.233 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.525 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 2.1 p -141.2 117.52 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.214 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.629 HG22 HG23 ' A' ' 90' ' ' ILE . 16.4 t -123.26 124.48 70.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.0 111.3 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.808 ' HG2' HD12 ' A' ' 113' ' ' LEU . 11.9 ttm180 -124.94 116.39 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.589 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.857 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.0 OUTLIER -111.19 156.45 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.792 -179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 1.031 HD13 HD11 ' A' ' 113' ' ' LEU . 4.6 mm -90.94 95.28 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.739 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.4 tp -84.92 58.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.826 0.822 . . . . 0.0 110.588 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.02 -128.76 8.87 Favored Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 120.113 -1.041 . . . . 0.0 111.872 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.8 -5.17 41.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.193 . . . . 0.0 110.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.542 ' O ' HD22 ' A' ' 113' ' ' LEU . 53.5 mt-10 -128.5 176.47 7.73 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.022 0.439 . . . . 0.0 111.097 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.031 HD11 HD13 ' A' ' 108' ' ' ILE . 1.3 mm? -121.64 141.13 51.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.42 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 114' ' ' VAL . 4.1 p -114.59 107.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.489 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.0 mt-30 -93.43 139.99 30.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.0 112.278 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.581 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.35 113.74 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.443 179.04 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.525 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 5.9 m-85 -117.03 159.46 22.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.649 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.817 HG12 ' HB2' ' A' ' 103' ' ' ASN . 11.6 p -151.16 140.24 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.925 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.833 ' CD2' HD12 ' A' ' 102' ' ' LEU . 8.1 t80 -154.85 104.55 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.066 0.46 . . . . 0.0 110.607 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.39 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.09 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.87 -13.98 0.84 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.861 0.704 . . . . 0.0 114.861 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.939 HG13 ' HG2' ' A' ' 16' ' ' LYS . 9.4 t -107.87 111.76 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.9 0.85 . . . . 0.0 112.299 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -114.52 119.58 37.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.799 178.557 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -122.31 137.67 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.928 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.36 165.59 11.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.445 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.803 ' HD2' HG21 ' A' ' 8' ' ' VAL . 10.7 ttp-105 -162.01 115.1 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.284 -0.566 . . . . 0.0 112.435 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.51 ' CG1' ' CG ' ' A' ' 10' ' ' ARG . 6.5 mm -77.98 138.21 20.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.859 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 36.2 t80 -119.52 156.32 30.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -143.19 155.11 44.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.988 178.06 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.24 151.63 25.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.164 0.507 . . . . 0.0 111.768 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.97 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.675 ' CZ ' HD11 ' A' ' 89' ' ' LEU . 9.1 m-85 -85.73 -47.24 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.79 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.634 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 -173.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.923 0.392 . . . . 0.0 111.195 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -88.94 117.97 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.852 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 14.0 m0 -118.24 121.25 40.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.508 0.67 . . . . 0.0 111.404 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.446 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 5.1 pttp -115.81 119.65 36.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.474 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.743 HG11 HD23 ' A' ' 36' ' ' LEU . 4.2 p -65.07 135.23 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.818 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.535 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -81.01 -62.46 1.66 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.478 ' CG ' ' HB ' ' A' ' 127' ' ' ILE . 3.6 ptp180 -135.14 158.42 44.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.021 0.439 . . . . 0.0 111.118 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 33' ' ' HIS . 15.7 m -119.41 147.93 43.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.037 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.21 128.14 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.835 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.465 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 6.3 m-20 59.35 14.59 3.81 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.144 0.497 . . . . 0.0 111.251 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.454 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 18' ' ' MET . 2.0 t70 -54.01 -29.82 44.96 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.09 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.87 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.4 OUTLIER -55.1 -42.23 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.519 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.835 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-85 -72.54 -24.54 61.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.024 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.657 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.58 -33.1 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.513 178.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.12 -61.47 1.8 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.822 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -64.19 -47.35 80.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 111.35 -179.119 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.834 ' HG2' HD11 ' A' ' 78' ' ' LEU . 1.7 ttp -72.83 -25.05 60.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.99 63.17 2.33 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.747 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.657 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.4 t -106.54 112.42 39.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -53.54 172.08 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.369 0.604 . . . . 0.0 111.66 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -88.62 -33.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.165 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.0 t -48.84 -52.15 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.535 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -30.92 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.584 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 1.9 tmm_? -73.78 -22.02 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.754 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ILE . 11.9 mttt -44.0 -36.28 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.92 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.9 OUTLIER -104.39 -45.53 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.087 0.47 . . . . 0.0 110.486 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -62.77 -14.44 44.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.821 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.582 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -53.68 -45.62 70.38 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 1.5 t-160 177.7 -73.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.8 m-20 -48.93 -49.93 37.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.551 -178.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -101.87 61.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.903 0.382 . . . . 0.0 111.675 -178.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.743 HD23 HG11 ' A' ' 8' ' ' VAL . 50.1 tp -122.72 115.88 22.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -116.05 116.84 28.61 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.853 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.809 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -108.75 112.73 25.17 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.451 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -103.64 152.99 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.051 0.453 . . . . 0.0 111.741 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.665 HG21 ' HB3' ' A' ' 2' ' ' PHE . 61.5 mt -134.58 131.9 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -124.14 157.05 35.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.773 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.8 114.68 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.341 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -147.88 89.79 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.415 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.81 -139.27 40.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.715 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -80.02 3.22 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.18 0.49 . . . . 0.0 110.875 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.85 136.78 52.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.229 0.538 . . . . 0.0 111.381 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' PHE . 6.2 m-30 -108.83 142.92 38.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.094 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.602 HG23 ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -101.42 120.25 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.465 HG21 ' CD2' ' A' ' 62' ' ' PHE . 18.4 t -98.93 120.05 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.243 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -118.12 111.84 19.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.448 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -97.16 119.13 35.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.007 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -101.91 147.34 26.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.997 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.92 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -149.63 -171.08 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.697 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.706 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -60.97 -68.32 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.025 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.06 -26.82 5.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.376 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -79.12 164.69 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.831 0.348 . . . . 0.0 111.08 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -141.71 131.6 24.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.417 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 6.9 mt -136.3 157.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.597 ' O ' HG13 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -176.41 160.58 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.678 HG23 ' CE2' ' A' ' 62' ' ' PHE . 2.8 m -162.09 107.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.602 ' CG2' HG23 ' A' ' 48' ' ' THR . 0.9 OUTLIER -64.2 147.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.678 ' CE2' HG23 ' A' ' 60' ' ' VAL . 24.5 m-85 -143.81 165.41 27.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.673 0.749 . . . . 0.0 112.371 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 3.4 tt0 -149.76 134.48 17.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.211 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.718 HD21 HD12 ' A' ' 84' ' ' LEU . 23.3 mt -59.22 105.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.575 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.65 22.42 7.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.816 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 61.8 t -132.97 147.34 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.0 110.456 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -62.21 145.41 53.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.474 -178.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.661 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.97 162.51 21.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.182 178.716 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 78.1 m-20 -142.39 141.83 32.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.013 0.435 . . . . 0.0 111.727 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.295 179.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 32.7 mt-10 . . . . . 0 CA--C 1.52 -0.187 0 N-CA-C 108.54 -0.911 . . . . 0.0 108.54 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.946 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -97.14 128.52 44.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.714 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 5.9 ttm180 -132.99 118.45 18.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.515 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.614 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.5 -119.36 1.53 Allowed Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.578 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.2 p -158.14 176.11 12.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.946 0.403 . . . . 0.0 111.133 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -143.91 127.84 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.129 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.49 150.07 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.981 0.419 . . . . 0.0 111.432 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.718 HD12 HD21 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -127.35 129.31 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.631 179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -129.82 94.45 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.72 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.52 -106.41 1.61 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -109.12 21.04 17.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.713 0.292 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -137.48 138.59 39.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.863 0.364 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.675 HD11 ' CZ ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -117.71 146.2 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.754 HG22 ' HE3' ' A' ' 92' ' ' LYS . 1.6 mp -128.0 95.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 111.811 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 82' ' ' TRP . . . -85.9 163.32 36.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.746 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.754 ' HE3' HG22 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -153.35 155.84 37.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.109 0.481 . . . . 0.0 111.844 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.84 ' HB2' HD22 ' A' ' 102' ' ' LEU . 53.0 m-85 -141.9 171.67 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.935 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -154.91 130.44 9.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.084 177.63 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 4.7 mtp85 -78.19 153.0 32.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.051 0.453 . . . . 0.0 110.899 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.69 -23.67 45.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.327 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -47.44 -35.8 9.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 178.15 40.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.472 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.24 63.02 4.28 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.525 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 40.0 m-20 -74.98 138.29 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 132.41 41.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.434 0.635 . . . . 0.0 111.787 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.946 HD13 ' CD2' ' A' ' 78' ' ' LEU . 5.3 tt -138.52 111.65 7.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.165 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.579 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 12.4 m-20 -108.2 144.56 35.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.194 0.521 . . . . 0.0 111.886 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.507 HG21 ' CE2' ' A' ' 117' ' ' TYR . 88.9 m -146.92 128.04 14.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.934 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 90' ' ' ILE . 18.0 t -125.05 122.45 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.326 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.563 ' HG3' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -115.51 116.33 27.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -124.53 131.52 53.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.659 HD13 ' CD1' ' A' ' 113' ' ' LEU . 9.9 mm -61.3 85.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.246 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.1 tp -77.49 116.51 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.55 -126.21 27.78 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.791 -1.195 . . . . 0.0 111.538 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.33 13.79 28.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.903 0.383 . . . . 0.0 110.355 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 23.7 mt-10 -131.64 176.18 8.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.054 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.694 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 6.7 tp -118.9 128.92 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.372 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -103.93 106.76 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -104.33 105.93 16.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.648 -178.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.744 HG23 ' HE2' ' A' ' 125' ' ' LYS . 37.1 m -102.86 110.97 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.186 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.538 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 3.2 m-85 -102.86 156.69 17.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.573 HG12 ' HB2' ' A' ' 103' ' ' ASN . 7.9 p -150.5 140.28 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.941 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.645 ' CD2' HD12 ' A' ' 102' ' ' LEU . 7.1 t80 -155.9 118.02 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.468 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 119' ' ' TYR . 5.5 mp0 26.51 88.65 0.01 OUTLIER 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.323 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.61 -3.44 6.3 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.874 -0.679 . . . . 0.0 114.086 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.87 HG13 ' HG2' ' A' ' 16' ' ' LYS . 6.0 t -108.4 145.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.194 0.497 . . . . 0.0 111.435 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 117' ' ' TYR . 5.8 tt0 -156.21 120.79 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -119.81 136.32 54.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.157 0.503 . . . . 0.0 111.181 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.744 ' HE2' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -109.24 128.86 55.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.093 179.515 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.459 ' CG ' HG21 ' A' ' 8' ' ' VAL . 5.9 ttt-85 -121.6 114.74 21.61 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.3 mp -81.09 139.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.852 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 40.5 t80 -124.1 153.92 40.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.535 ' HG2' ' HB2' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -144.57 156.04 43.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.167 177.782 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -108.72 152.12 25.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.161 0.505 . . . . 0.0 112.01 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.202 -0.904 . . . . 0.35 110.892 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.83 0.348 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.628 ' CE1' HD21 ' A' ' 89' ' ' LEU . 2.5 m-85 -74.47 -49.88 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 109.81 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.791 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.71 179.73 0.12 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 111.481 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -88.38 121.38 30.7 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.855 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 18.5 m0 -113.21 126.63 55.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.718 0.771 . . . . 0.0 112.445 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -121.3 114.45 21.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.977 178.429 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.783 HG21 ' CD ' ' A' ' 126' ' ' ARG . 1.9 p -68.49 134.25 30.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.351 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 27.4 t70 -88.99 -69.35 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.036 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.519 ' HG3' HD13 ' A' ' 127' ' ' ILE . 9.8 ptt180 -123.05 168.86 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.607 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 10.4 p -142.53 163.1 33.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.313 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.03 127.57 28.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 8.6 m-20 59.2 16.24 4.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 111.136 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.654 ' HE1' ' HE1' ' A' ' 18' ' ' MET . 3.7 t80 -56.37 -40.79 75.12 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -61.38 -32.78 72.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.524 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 1.0 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.9 OUTLIER -48.32 -43.14 32.94 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.525 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.827 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-30 -70.41 -38.82 74.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.154 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.654 ' HE1' ' HE1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -53.77 -32.71 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.957 178.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -87.65 -60.31 2.01 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.747 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.4 OUTLIER -63.38 -20.58 65.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.318 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.6 ttp -106.58 -9.64 16.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.203 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.37 51.56 58.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.612 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.456 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.6 t -90.43 123.92 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.989 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -56.39 148.49 18.89 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.377 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.438 HD13 ' CZ ' ' A' ' 28' ' ' ARG . 6.1 tp -77.59 -31.03 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.76 -47.4 62.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.336 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.61 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.554 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.734 ' HD3' ' HB2' ' A' ' 32' ' ' ALA . 2.2 tmm_? -72.7 -25.12 61.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.273 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.35 -42.51 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.301 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' A' ' 53' ' ' SER . 0.5 OUTLIER -108.15 -12.65 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.699 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -93.22 -15.98 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.734 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -56.97 -48.36 78.56 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.538 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 13.8 p-80 168.67 -38.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 111.662 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.456 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 16.1 m-20 -54.52 -58.23 8.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.042 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -115.63 31.65 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 0.0 111.526 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' ' 31' ' ' ALA . 60.4 tp -84.84 116.37 23.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.1 tppp? -108.84 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.325 0.583 . . . . 0.0 110.187 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.726 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.6 tp -114.96 129.05 56.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.841 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.416 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 80.5 m -120.69 153.98 36.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.089 0.471 . . . . 0.0 111.942 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.743 HD12 ' CE2' ' A' ' 6' ' ' TRP . 65.4 mt -129.18 133.51 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.248 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m -128.49 159.32 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.1 134.59 54.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.03 0.443 . . . . 0.0 111.588 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -168.51 89.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.145 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.84 -136.25 51.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.657 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.91 14.26 7.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.276 0.538 . . . . 0.0 110.627 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -129.78 139.9 51.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.132 0.491 . . . . 0.0 111.28 -179.682 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PHE . 8.6 m-30 -110.83 173.23 6.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.781 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -126.47 120.0 28.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.571 0.225 . . . . 0.0 110.412 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 60' ' ' VAL . 4.6 t -94.75 111.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.923 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.416 ' H ' ' HB ' ' A' ' 39' ' ' THR . 2.4 mptt -108.23 111.8 23.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.354 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -102.93 150.49 23.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.992 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -139.91 152.98 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.644 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -149.53 -171.06 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.594 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.488 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -57.96 -68.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.026 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -117.75 -26.7 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.1 170.23 16.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -141.7 146.02 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.413 ' HB ' ' HB3' ' A' ' 51' ' ' GLU . 1.2 mt -150.48 154.99 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.95 171.42 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.7 p -179.59 139.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.0 111.565 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -75.34 161.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.409 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -136.16 150.37 49.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.648 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.698 ' CD ' HG21 ' A' ' 66' ' ' VAL . 36.1 tt0 -148.94 119.51 7.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.755 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 84' ' ' LEU . 21.0 mt -60.45 114.14 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.62 24.6 17.7 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.888 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.698 HG21 ' CD ' ' A' ' 63' ' ' GLU . 21.7 t -135.95 160.57 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 0.0 110.495 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -79.51 141.85 36.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.023 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.5 OUTLIER -81.74 154.16 26.15 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -125.59 132.12 52.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.188 0.518 . . . . 0.0 112.255 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.129 179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.846 0.355 . . . . 0.0 110.768 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.828 HD21 HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -132.1 131.11 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -131.16 117.88 19.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.236 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -140.95 -117.29 1.36 Allowed Glycine 0 C--O 1.228 -0.254 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.891 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 16.4 p -157.74 175.62 13.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.068 0.461 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.565 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 10.1 t90 -156.73 126.82 6.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.584 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.57 149.32 35.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.0 111.326 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -101.37 132.18 47.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.669 179.688 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -123.49 97.45 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.922 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.16 -108.57 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.426 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.81 20.81 18.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -138.49 158.1 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.628 HD21 ' CE1' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -126.87 138.86 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.752 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 82' ' ' TRP . 0.7 OUTLIER -114.21 138.15 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.086 0.469 . . . . 0.0 111.559 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' A' ' 92' ' ' LYS . . . -124.67 148.68 16.81 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.212 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.563 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -145.26 156.25 43.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.067 0.461 . . . . 0.0 111.442 -178.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.817 ' HB2' HD22 ' A' ' 102' ' ' LEU . 48.2 m-85 -141.85 171.84 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.353 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -156.79 130.06 7.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.884 177.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.602 ' HG3' ' OH ' ' A' ' 119' ' ' TYR . 7.0 mmt85 -76.95 147.81 36.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.232 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.21 -22.43 59.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.566 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -50.0 -40.31 44.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.834 0.349 . . . . 0.0 111.185 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -178.12 40.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.594 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.471 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 51.6 64.99 3.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.75 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.54 ' HB2' ' HG3' ' A' ' 95' ' ' ARG . 32.5 m120 -78.35 140.8 38.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.95 127.14 31.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.828 HD13 HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -138.38 111.39 7.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.685 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.75 ' HB2' HG12 ' A' ' 118' ' ' VAL . 2.6 m-80 -107.48 152.66 23.92 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.214 0.53 . . . . 0.0 112.18 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.79 117.93 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.857 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.24 129.69 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -132.25 116.5 17.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.183 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 113' ' ' LEU . 14.7 pt-20 -111.26 154.71 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.457 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 1.047 HD13 HD11 ' A' ' 113' ' ' LEU . 7.4 mm -82.39 87.73 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 111.528 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.4 tp -79.67 117.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.31 -123.79 16.12 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.942 -1.123 . . . . 0.0 111.849 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -102.24 15.63 28.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.968 0.413 . . . . 0.0 110.372 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.544 ' O ' HD22 ' A' ' 113' ' ' LEU . 61.0 mt-10 -132.93 177.97 7.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.374 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.047 HD11 HD13 ' A' ' 108' ' ' ILE . 1.7 mm? -119.73 130.1 54.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.067 0.46 . . . . 0.0 111.627 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.9 p -108.87 107.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.612 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.2 mp0 -96.87 140.52 31.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.142 0.496 . . . . 0.0 112.052 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -133.22 114.36 13.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.665 179.101 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.535 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 2.2 m-85 -113.06 150.82 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.369 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 103' ' ' ASN . 6.3 p -146.61 142.09 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.909 0.385 . . . . 0.0 111.256 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.739 ' CG ' HD12 ' A' ' 102' ' ' LEU . 55.2 t80 -155.72 109.73 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.239 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 119' ' ' TYR . 1.8 pt-20 28.77 90.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.026 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 83.23 -52.25 4.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.996 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 1.0 HG13 ' HG2' ' A' ' 16' ' ' LYS . 42.4 t -77.83 133.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.375 0.607 . . . . 0.0 112.562 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 117' ' ' TYR . 2.1 tt0 -138.65 116.96 11.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.12 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.496 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -120.13 137.3 54.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.078 0.466 . . . . 0.0 111.822 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.854 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.49 164.71 11.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.173 179.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.783 ' CD ' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -154.63 119.02 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.571 -178.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 127' ' ' ILE . 2.4 mp -83.73 132.25 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.855 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 48.6 t80 -114.3 154.0 28.76 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 85.9 mttt -143.25 162.41 35.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.076 178.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -107.57 151.1 26.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.107 0.479 . . . . 0.0 111.7 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.23 -0.89 . . . . 0.35 110.966 179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.68 ' CE1' HD11 ' A' ' 89' ' ' LEU . 2.8 m-85 -89.51 -54.68 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -51.13 106.24 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.734 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.71 -177.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 111.389 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.601 HG23 ' HE3' ' A' ' 37' ' ' LYS . 98.9 m -88.85 123.31 33.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.864 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 10.9 m0 -117.12 126.92 53.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 111.804 -178.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.504 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 28.0 pttt -120.7 116.06 24.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.887 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.46 HG23 ' CZ ' ' A' ' 126' ' ' ARG . 5.2 p -64.05 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.914 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.91 -52.43 4.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.384 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 4.9 ptt180 -145.67 171.71 14.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.798 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 p -144.11 166.22 25.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.248 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -145.09 126.29 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 5.4 m-20 61.61 15.81 7.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 111.166 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.511 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.4 OUTLIER -56.95 -43.19 81.31 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.25 -32.77 66.91 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.902 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -51.44 -38.74 55.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.539 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.875 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-85 -77.48 -23.97 50.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.206 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.552 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 18.3 mmt -75.58 -27.87 58.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.63 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.18 -60.4 1.99 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.763 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.1 tptp -58.75 -47.25 85.32 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.442 ' HE2' ' O ' ' A' ' 17' ' ' PHE . 12.3 mtm -74.08 -32.44 63.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.672 0.272 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.09 45.81 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.204 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.552 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 14.3 t -87.44 111.05 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.0 110.511 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.484 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.434 ' HA ' ' HB3' ' A' ' 28' ' ' ARG . 1.8 tt -42.98 -39.42 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.354 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -47.88 -53.12 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.829 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -79.86 -30.27 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.197 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.911 ' NE ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -62.81 -33.46 75.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.231 179.562 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -46.17 -43.82 15.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.578 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.864 HD13 ' CB ' ' A' ' 53' ' ' SER . 2.7 mt -92.23 -12.98 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.128 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -92.89 -22.33 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.849 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.911 ' HB2' ' NE ' ' A' ' 28' ' ' ARG . . . -55.14 -48.27 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.447 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.73 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.0 111.718 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -48.55 -58.24 4.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.678 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -106.63 46.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.998 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 31' ' ' ALA . 2.1 tt -111.5 117.14 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.0 111.585 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.601 ' HE3' HG23 ' A' ' 5' ' ' THR . 0.4 OUTLIER -119.6 116.72 26.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.55 178.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.773 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.4 tp -105.98 134.53 48.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.794 ' C ' HD13 ' A' ' 40' ' ' ILE . 69.4 m -125.94 151.38 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.133 0.492 . . . . 0.0 112.045 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.794 HD13 ' C ' ' A' ' 39' ' ' THR . 1.8 mm -127.35 133.04 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -127.02 154.23 44.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.771 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -99.77 137.67 37.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.37 92.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.46 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.04 -127.12 24.12 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.046 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.27 21.1 7.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.251 0.525 . . . . 0.0 109.973 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -131.38 167.41 19.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.08 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CE2' HD13 ' A' ' 84' ' ' LEU . 20.3 m-85 -133.44 169.57 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.022 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -125.22 124.16 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.524 179.528 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 60' ' ' VAL . 10.6 t -94.7 118.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 111.025 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -118.93 112.47 19.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.412 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -100.07 148.9 24.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.93 0.395 . . . . 0.0 111.035 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -138.01 141.69 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.864 ' CB ' HD13 ' A' ' 30' ' ' LEU . 48.7 m -149.4 -173.76 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.743 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.64 -13.09 18.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.501 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.72 ' HB2' HD11 ' A' ' 30' ' ' LEU . 8.4 m-85 -108.57 -26.81 10.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.0 111.29 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.595 ' NH2' HD11 ' A' ' 58' ' ' ILE . 7.0 ptt-85 -164.52 -171.01 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -141.93 133.48 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.595 HD11 ' NH2' ' A' ' 56' ' ' ARG . 1.5 mt -116.48 162.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 58' ' ' ILE . 21.1 tt0 -171.21 148.9 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.037 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 8.4 p -165.65 125.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.464 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 10.8 p -86.4 151.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 40.5 m-85 -149.69 167.23 27.02 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.09 0.472 . . . . 0.0 112.037 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 11.3 tt0 -133.83 139.11 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.004 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.94 111.26 1.41 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.507 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.87 23.45 15.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.432 -0.89 . . . . 0.0 111.892 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 87.5 t -131.44 142.06 44.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.25 0.548 . . . . 0.0 110.397 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -54.83 142.16 30.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.469 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -82.49 163.16 21.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.954 178.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -142.39 139.51 31.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.0 111.986 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.585 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.268 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 121.156 0.503 . . . . 0.0 111.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -160.86 112.73 1.89 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.494 179.294 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 7.9 ttp180 -124.77 121.01 33.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.42 -121.28 1.48 Allowed Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.049 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' LYS . 11.2 p -158.2 174.66 14.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.936 0.398 . . . . 0.0 110.805 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.5 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 6.1 t90 -147.01 127.43 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.57 ' O ' HD12 ' A' ' 90' ' ' ILE . 18.5 m -138.63 122.72 17.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.971 HD21 HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -100.68 131.42 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -123.12 94.45 4.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.777 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.47 -104.2 1.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.398 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.08 21.48 17.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.601 0.239 . . . . 0.0 111.24 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -133.89 137.07 44.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.971 HD23 HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -116.85 125.59 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 83' ' ' SER . 1.9 mp -115.41 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 0.0 111.522 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.512 ' N ' ' HG1' ' A' ' 104' ' ' THR . . . -98.4 162.7 20.74 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.926 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.525 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -152.29 157.47 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.012 0.434 . . . . 0.0 111.384 -179.213 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.66 ' HB3' HD23 ' A' ' 78' ' ' LEU . 39.5 m-85 -143.49 172.02 13.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.979 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -151.68 131.09 12.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.755 177.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 119' ' ' TYR . 17.1 mtp180 -72.86 128.4 35.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.869 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -20.07 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.332 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -47.39 -27.09 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.992 0.425 . . . . 0.0 110.999 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 179.17 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.234 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.497 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 133.27 62.02 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.718 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.541 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.2 m-80 -78.25 143.18 37.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.319 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 0.3 OUTLIER -78.34 129.47 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.757 0.789 . . . . 0.0 112.544 -178.433 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.798 HD22 ' HB2' ' A' ' 119' ' ' TYR . 1.7 tm? -134.36 118.84 17.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.865 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.784 ' HB2' HG12 ' A' ' 118' ' ' VAL . 1.2 m120 -113.7 147.47 38.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.0 112.199 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.544 ' HB ' ' CE2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -147.02 117.34 7.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.68 178.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.36 120.72 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.754 ' HB3' HD21 ' A' ' 113' ' ' LEU . 90.1 mtt180 -115.94 127.16 54.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.223 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.2 146.18 52.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.667 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.748 HD13 HD12 ' A' ' 113' ' ' LEU . 7.2 mm -83.78 84.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.191 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.6 tp -79.69 119.28 28.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.81 -123.87 18.17 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.541 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -100.62 11.22 39.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.977 0.418 . . . . 0.0 110.275 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 26.9 mt-10 -128.16 177.16 7.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.735 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.754 HD21 ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -119.64 129.9 54.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.396 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 114' ' ' VAL . 6.7 p -103.36 108.03 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.588 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.8 mt-30 -107.17 119.26 38.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.0 112.029 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.889 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -117.04 117.65 30.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.023 179.165 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.544 ' CE2' ' HB ' ' A' ' 104' ' ' THR . 1.8 m-85 -113.52 156.51 23.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.236 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.784 HG12 ' HB2' ' A' ' 103' ' ' ASN . 15.0 p -151.31 136.48 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.831 0.348 . . . . 0.0 111.012 178.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.798 ' HB2' HD22 ' A' ' 102' ' ' LEU . 5.6 t80 -152.43 120.04 6.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.0 110.774 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' TYR . 1.2 mm-40 24.54 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.083 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.44 -4.34 9.25 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.876 -0.678 . . . . 0.0 114.041 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.902 HG13 ' HG2' ' A' ' 16' ' ' LYS . 16.1 t -107.49 144.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.113 0.456 . . . . 0.0 111.559 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.1 tt0 -155.6 113.92 3.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.069 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.42 139.0 53.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 0.0 111.759 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.889 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.63 161.07 15.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.513 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 11.0 ttt-85 -158.01 114.57 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.81 -178.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.457 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 5.1 mm -81.33 149.38 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.864 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 43.9 t80 -131.07 154.44 48.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.468 ' HG2' ' HB2' ' A' ' 9' ' ' ASP . 3.8 pttp -144.0 157.59 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.184 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -107.84 151.16 26.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.215 0.531 . . . . 0.0 111.834 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.968 -179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.753 0.311 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 108' ' ' ILE . 5.0 m-85 -88.23 -46.84 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -58.13 111.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.533 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.83 -172.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.811 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.496 HG22 ' HE2' ' A' ' 37' ' ' LYS . 56.3 m -89.28 120.14 30.38 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.85 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.4 m0 -116.92 125.07 50.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.0 111.26 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 129' ' ' LYS . 4.1 ptmt -120.99 115.44 23.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.839 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.799 HG21 ' HD2' ' A' ' 126' ' ' ARG . 1.1 p -60.95 129.71 24.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.3 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -84.92 -63.74 1.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.828 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 127' ' ' ILE . 6.6 ptt180 -128.1 169.64 13.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.6 p -144.07 166.0 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.57 131.38 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.652 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER 62.12 13.03 5.44 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.257 0.551 . . . . 0.0 111.253 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.429 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -55.7 -46.61 77.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 18' ' ' MET . 8.4 t0 -54.67 -31.71 58.17 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.849 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.92 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -52.46 -40.75 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.223 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.789 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.0 m-85 -74.12 -24.55 59.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.709 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.672 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -71.05 -31.74 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.378 179.283 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.8 -60.55 1.95 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.764 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.5 tptp -56.88 -47.5 80.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' A' ' 17' ' ' PHE . 4.1 mtp -81.92 -28.76 32.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 111.189 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.83 56.48 1.96 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.672 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 4.0 t -97.67 99.37 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -50.19 178.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.492 0.663 . . . . 0.0 112.219 -178.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -86.52 -32.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.242 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.471 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 21.7 t -44.26 -56.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.865 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 mmtp -86.53 -29.09 22.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.0 111.051 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.561 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.3 tmm_? -73.49 -20.14 60.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.85 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ILE . 3.3 mttt -44.03 -48.65 8.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.0 111.473 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.914 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -101.41 -31.87 10.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -70.46 -13.79 62.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.514 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 33' ' ' HIS . . . -55.07 -47.0 75.48 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.37 -50.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.825 0.345 . . . . 0.0 111.464 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -55.13 29.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.793 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -108.42 44.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 111.279 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 31' ' ' ALA . 8.5 tt -103.82 118.64 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HE2' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -116.52 116.64 28.02 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.323 0.583 . . . . 0.0 110.068 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.843 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.2 tp -106.77 112.02 24.8 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.4 m -99.43 142.01 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.012 0.434 . . . . 0.0 111.817 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.444 HG13 ' CE2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.38 133.99 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.471 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.7 m -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 111.268 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -88.35 121.27 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.644 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.48 ' OE1' HG23 ' A' ' 48' ' ' THR . 5.2 tt0 -140.23 41.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.298 0.57 . . . . 0.0 111.107 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.08 -125.23 6.83 Favored Glycine 0 C--N 1.314 -0.666 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -78.88 1.27 24.08 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 117.212 0.506 . . . . 0.0 110.812 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.772 ' CE ' HG21 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -130.28 155.64 45.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.405 0.621 . . . . 0.0 111.625 -179.777 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.76 ' HE2' HD21 ' A' ' 64' ' ' LEU . 43.5 m-85 -111.4 133.8 53.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.673 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.48 HG23 ' OE1' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -87.94 119.88 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.694 HG22 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -108.63 124.97 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.442 . . . . 0.0 111.046 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -122.55 116.07 23.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.441 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.1 tt0 -86.23 117.55 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.823 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.401 ' CB ' ' HG2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -105.73 144.79 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.034 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.914 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -149.86 -171.07 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.862 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.668 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -74.93 -59.51 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -115.5 -26.83 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.58 149.81 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.973 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -141.89 136.75 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 2.4 mp -139.7 160.82 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.685 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.436 ' N ' HG22 ' A' ' 58' ' ' ILE . 63.3 tt0 -154.21 162.17 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.197 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.658 HG13 HG23 ' A' ' 49' ' ' VAL . 12.4 p -178.36 165.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.791 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.772 HG21 ' CE ' ' A' ' 46' ' ' LYS . 12.3 p -136.97 146.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.46 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.92 130.03 31.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.466 0.651 . . . . 0.0 111.214 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -106.24 138.73 41.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.065 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.76 HD21 ' HE2' ' A' ' 47' ' ' PHE . 18.3 mt -60.47 102.0 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.19 15.29 18.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.121 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.427 HG23 ' OE1' ' A' ' 63' ' ' GLU . 39.9 t -132.78 144.41 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.157 0.504 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.1 m -57.51 154.62 10.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.021 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.624 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.276 179.165 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -130.28 118.32 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.967 0.413 . . . . 0.0 111.912 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.302 179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.695 0.283 . . . . 0.0 110.37 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.756 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -120.26 137.07 54.44 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.18 0.514 . . . . 0.0 111.446 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' LYS . 25.5 ttp85 -110.92 123.86 50.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.124 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.617 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -147.61 -157.03 7.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.271 -1.442 . . . . 0.0 114.55 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.478 ' O ' ' HA2' ' A' ' 91' ' ' GLY . 1.9 p -151.62 138.77 19.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.317 -0.441 . . . . 0.0 109.873 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.458 ' CZ3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -111.05 142.23 43.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.406 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.77 144.59 22.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.622 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.577 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -110.59 127.58 55.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.084 0.469 . . . . 0.0 110.681 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.55 93.97 4.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.235 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.13 -101.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.962 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -115.06 21.47 14.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.607 0.241 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -125.08 147.25 49.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.019 0.438 . . . . 0.0 111.592 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.763 ' C ' HD13 ' A' ' 90' ' ' ILE . 2.6 mm? -107.52 127.74 53.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.424 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -129.26 137.22 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.463 0.649 . . . . 0.0 112.466 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 81' ' ' THR . . . -142.4 153.12 24.26 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.588 ' O ' ' CA ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -146.75 117.31 7.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.618 0.709 . . . . 0.0 111.081 -179.298 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.624 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 96.7 m-85 -101.54 173.02 6.62 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 112.283 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.4 mttt -158.05 131.59 7.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.355 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.41 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 2.1 mtp180 -73.63 141.74 46.52 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.183 0.516 . . . . 0.0 111.006 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -17.05 61.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.547 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -47.86 -57.92 5.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -155.55 24.54 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.434 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.539 ' C ' ' HE2' ' A' ' 94' ' ' LYS . . . 71.53 82.82 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.131 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.75 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 32.1 m120 -112.91 109.77 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.862 0.363 . . . . 0.0 110.267 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.633 ' HA ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -60.0 142.95 53.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.771 0.796 . . . . 0.0 111.918 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.756 HD13 ' CD2' ' A' ' 78' ' ' LEU . 6.1 tt -143.77 126.4 16.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.693 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.787 ' HB2' HG12 ' A' ' 118' ' ' VAL . 1.8 m-80 -109.73 150.97 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 111.378 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.455 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.6 p -146.27 117.33 7.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.052 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 t -129.39 114.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.456 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 14.2 ptt180 -130.47 116.52 18.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -111.23 158.56 18.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.8 HD13 ' CD1' ' A' ' 113' ' ' LEU . 8.3 mm -76.01 82.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 109' ' ' ILE . 7.1 tp -76.24 121.05 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.8 -124.89 28.56 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.8 -1.191 . . . . 0.0 111.704 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.37 16.81 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.804 0.335 . . . . 0.0 110.497 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 14.3 mt-10 -138.42 178.37 7.19 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.8 ' CD1' HD13 ' A' ' 108' ' ' ILE . 2.0 tp -113.84 129.77 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.027 0.441 . . . . 0.0 110.949 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.9 p -108.43 108.06 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.68 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -100.93 140.85 34.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.26 0.553 . . . . 0.0 112.291 -178.409 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.826 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.7 111.45 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.504 178.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.1 m-85 -111.41 157.56 20.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.303 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.787 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.5 p -149.63 135.36 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-O 120.669 0.271 . . . . 0.0 111.088 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.665 ' CD1' HD12 ' A' ' 102' ' ' LEU . 39.9 t80 -145.86 116.69 7.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.58 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.4 OUTLIER 22.25 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.199 -179.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.19 -6.51 14.26 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.88 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.92 HG13 ' HG2' ' A' ' 16' ' ' LYS . 19.1 t -107.39 145.7 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.947 0.373 . . . . 0.0 111.219 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 5.1 tt0 -156.12 115.8 3.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.268 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.69 135.63 55.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.146 0.498 . . . . 0.0 111.653 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.826 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.88 135.88 49.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.182 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.799 ' HD2' HG21 ' A' ' 8' ' ' VAL . 3.1 ttp180 -131.27 115.53 16.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 127' ' ' ILE . 2.8 mp -82.59 134.66 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.85 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 35.7 t80 -107.65 148.83 28.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 7' ' ' LYS . 13.3 tmtt? -142.15 158.73 43.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.863 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -107.97 148.91 29.05 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.327 0.584 . . . . 0.0 112.078 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.156 -0.929 . . . . 0.35 111.011 179.932 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.504 ' CE1' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -75.47 -51.93 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.778 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -55.41 104.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.71 -175.95 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.4 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 91.3 m -88.66 115.91 26.53 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.851 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 16.0 m0 -115.63 126.48 54.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.507 0.67 . . . . 0.0 111.74 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.511 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.1 ttpt -118.54 121.73 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.467 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.525 HG23 ' NE ' ' A' ' 126' ' ' ARG . 5.8 p -65.33 135.23 28.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.143 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 16.0 t70 -93.61 -71.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.15 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.544 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 3.9 ptp180 -118.86 165.8 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.63 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.5 p -140.91 156.82 46.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.294 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -136.24 123.99 22.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.413 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 62.57 14.12 6.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.187 0.518 . . . . 0.0 111.229 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -56.61 -49.82 73.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -49.98 -33.33 17.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.788 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.865 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -52.33 -41.4 62.96 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.532 179.335 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.873 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.3 m-85 -72.23 -25.19 61.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.179 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -69.94 -30.08 67.37 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.03 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.28 -60.66 1.94 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.766 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.1 tptp -56.6 -47.41 79.65 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.327 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 5.9 mtm -65.25 -40.07 93.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 110.201 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.24 55.02 2.02 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.448 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 18' ' ' MET . 16.4 m -96.37 156.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.714 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -81.17 -173.36 4.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.814 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.91 -38.9 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.32 -45.91 33.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.504 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -33.62 29.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.992 0.425 . . . . 0.0 110.3 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.533 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -65.12 -33.33 75.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.818 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -54.57 -42.46 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.829 HD13 ' CB ' ' A' ' 53' ' ' SER . 1.4 mt -101.67 -14.75 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.142 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -93.74 -16.14 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 33' ' ' HIS . . . -59.21 -49.35 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 13.6 p80 160.0 -44.61 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.963 0.411 . . . . 0.0 111.367 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.21 -57.76 8.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.866 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -111.32 66.73 0.63 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 111.318 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.408 ' HB3' ' CG1' ' A' ' 8' ' ' VAL . 37.3 tp -128.57 126.58 40.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -118.21 117.34 28.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.451 0.643 . . . . 0.0 109.887 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.849 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -108.21 113.0 25.78 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.312 -179.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.4 m -105.8 153.86 21.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.499 . . . . 0.0 112.043 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.473 HD12 ' CE2' ' A' ' 6' ' ' TRP . 50.5 mt -131.89 137.41 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.59 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -131.14 162.47 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -110.49 128.79 55.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.237 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -159.12 89.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.402 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.84 -134.23 43.74 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.832 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -82.83 7.16 15.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.267 0.534 . . . . 0.0 110.771 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -123.29 152.12 41.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.503 0.668 . . . . 0.0 111.904 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.7 ' HE2' HD21 ' A' ' 64' ' ' LEU . 40.9 m-85 -112.1 166.97 10.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.441 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.5 119.34 28.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.046 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.9 119.74 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.953 0.406 . . . . 0.0 111.664 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -117.3 111.48 19.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.1 mt-10 -104.32 127.28 51.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 0.0 111.281 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.3 150.91 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.829 ' CB ' HD13 ' A' ' 30' ' ' LEU . 5.0 m -149.51 -170.96 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.665 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -57.82 -74.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -122.48 15.06 10.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.405 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -114.4 162.89 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -134.27 134.05 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.465 HG21 ' OH ' ' A' ' 70' ' ' TYR . 3.9 mt -148.69 151.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.607 ' O ' HG13 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -179.55 154.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.718 HG23 ' CE2' ' A' ' 62' ' ' PHE . 3.6 m -161.52 106.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 47' ' ' PHE . 6.1 p -63.68 152.06 8.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.718 ' CE2' HG23 ' A' ' 60' ' ' VAL . 33.2 m-85 -147.29 165.35 30.37 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.6 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 6.3 tt0 -139.05 150.87 46.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.717 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.7 HD21 ' HE2' ' A' ' 47' ' ' PHE . 28.6 mt -69.84 104.29 2.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.67 25.3 7.73 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.939 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 64.2 t -131.73 145.81 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.216 0.531 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.698 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.6 m -56.54 162.22 2.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.394 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -101.86 159.99 14.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.454 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -144.21 146.31 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.98 0.419 . . . . 0.0 111.726 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.465 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.723 179.263 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.295 0.569 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.749 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -134.68 126.9 30.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.163 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 16.2 mtt180 -134.55 126.74 29.92 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.698 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -143.75 -114.31 0.97 Allowed Glycine 0 C--O 1.226 -0.402 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.86 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 80' ' ' GLY . 15.3 p -158.74 174.92 14.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.438 0.619 . . . . 0.0 111.461 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.597 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -147.91 135.67 20.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.51 179.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -152.81 149.34 28.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 0.0 111.63 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.794 ' HG ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -116.57 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.388 179.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.7 94.51 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.195 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 63.93 -107.49 1.8 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.626 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -107.72 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.632 0.253 . . . . 0.0 111.457 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.807 ' C ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -138.66 132.74 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.718 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.807 HD13 ' C ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -114.29 142.93 45.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.672 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.04 137.02 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.336 0.589 . . . . 0.0 112.093 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' ' 82' ' ' TRP . . . -135.87 157.59 23.43 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.11 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.464 ' O ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -155.57 159.31 39.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.256 0.528 . . . . 0.0 111.846 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.857 ' HB2' HD22 ' A' ' 102' ' ' LEU . 92.5 m-85 -134.39 173.59 11.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.899 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -151.79 137.38 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.539 178.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.449 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 0.0 OUTLIER -81.58 150.1 28.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.0 111.222 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -24.63 48.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.423 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -49.44 -37.03 24.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -178.48 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.462 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 50.61 63.66 4.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.742 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.5 m-80 -76.42 138.74 40.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.98 135.3 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.515 0.674 . . . . 0.0 112.551 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.6 tt -143.88 110.61 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.741 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.766 ' HB2' HG12 ' A' ' 118' ' ' VAL . 2.0 m120 -105.91 153.25 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.161 0.505 . . . . 0.0 111.817 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.511 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.65 116.72 7.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.554 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.12 120.15 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.803 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.561 ' O ' HD22 ' A' ' 89' ' ' LEU . 37.6 mtt180 -115.75 116.21 27.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.798 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.1 mp0 -114.64 135.67 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.409 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 1.047 HD13 HD21 ' A' ' 113' ' ' LEU . 6.6 mm -82.13 98.03 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.576 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 109' ' ' ILE . 4.9 tp -90.84 55.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.925 0.869 . . . . 0.0 110.218 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.55 -127.13 8.21 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 120.145 -1.026 . . . . 0.0 111.153 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -79.17 -9.64 59.61 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.595 0.236 . . . . 0.0 110.563 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 112' ' ' GLU . 1.6 mp0 -111.69 165.5 11.98 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.794 0.331 . . . . 0.0 110.849 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.047 HD21 HD13 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -121.43 128.93 52.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.108 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.401 HG13 ' OE1' ' A' ' 107' ' ' GLU . 2.1 p -106.27 107.66 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 0.9 OUTLIER -105.69 140.66 38.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.0 112.432 -178.296 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -133.81 112.45 11.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.22 178.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.511 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 1.4 m-85 -110.03 156.34 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.333 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.1 p -150.54 134.74 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.719 0.295 . . . . 0.0 111.174 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.711 ' CD1' HD12 ' A' ' 102' ' ' LEU . 33.2 t80 -147.75 115.54 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.564 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.6 OUTLIER 24.95 89.29 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.253 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.94 -8.02 13.25 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.89 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.873 HG12 ' CE1' ' A' ' 17' ' ' PHE . 15.2 t -107.3 143.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.972 0.386 . . . . 0.0 111.51 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 117' ' ' TYR . 3.1 tt0 -154.6 115.7 4.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.164 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -121.26 142.95 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.0 111.802 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.838 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.3 OUTLIER -108.06 164.54 12.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.525 ' NE ' HG23 ' A' ' 8' ' ' VAL . 1.6 ttt180 -161.5 122.78 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.544 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 3.3 mm -91.79 140.98 15.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.851 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 32.7 t80 -118.93 153.66 34.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 0.7 OUTLIER -143.84 159.28 42.81 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.849 177.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -108.45 151.85 25.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 0.0 111.895 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.239 -0.886 . . . . 0.35 110.991 179.913 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.895 0.379 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.43 -45.74 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.45 111.07 0.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.66 179.57 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.949 0.404 . . . . 0.0 111.02 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -88.67 124.0 33.66 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.882 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.3 m0 -115.51 127.05 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 111.952 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.526 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -118.9 117.04 27.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.628 177.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 126' ' ' ARG . 3.6 p -68.57 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.606 -178.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.496 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 8.9 t70 -98.23 -75.12 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.524 ' CG ' HG12 ' A' ' 127' ' ' ILE . 0.6 OUTLIER -117.11 164.18 15.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.0 111.002 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 53.2 p -141.29 164.17 30.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.947 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 127.38 13.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.7 m-20 62.12 15.2 7.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.105 0.479 . . . . 0.0 111.061 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.473 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -55.35 -41.01 71.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.93 -0.766 . . . . 0.0 108.93 179.132 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -58.51 -35.3 72.05 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.928 ' CG ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -47.49 -40.32 18.19 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.55 179.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.832 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.4 m-85 -76.77 -25.61 53.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.521 ' HG3' ' CD ' ' A' ' 28' ' ' ARG . 13.7 mmt -74.28 -29.75 61.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.535 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -87.2 -60.89 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.732 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -53.42 -47.32 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.47 -27.27 41.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 0.0 111.198 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.4 44.43 5.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.97 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 8.7 t -80.2 126.14 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.764 0.316 . . . . 0.0 110.503 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.6 117.41 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 111.45 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.809 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -49.04 -36.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.187 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.4 -59.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -29.71 61.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.063 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.521 ' CD ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -60.67 -31.34 70.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.161 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.638 ' HE2' HD12 ' A' ' 25' ' ' ILE . 2.4 mttm -54.32 -49.53 69.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.478 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.84 HD11 ' CB ' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -77.41 -20.83 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.178 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -93.03 -13.73 28.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.664 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ARG . . . -54.75 -48.22 72.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 4.1 p-80 162.85 -40.38 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.77 -53.1 56.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -109.6 42.21 1.53 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.328 . . . . 0.0 111.243 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 31' ' ' ALA . 3.4 tm? -111.82 118.83 36.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 0.0 111.234 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -121.72 115.96 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.764 179.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.1 tp -105.37 125.76 51.34 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.691 ' O ' HD13 ' A' ' 40' ' ' ILE . 1.8 m -113.25 152.37 29.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 111.803 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -137.14 142.24 37.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.103 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.704 HG23 ' OG1' ' A' ' 48' ' ' THR . 0.3 OUTLIER -149.45 152.73 36.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.229 179.056 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.79 129.87 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.0 111.961 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -156.97 88.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.083 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.37 -143.34 38.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.621 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.09 0.43 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.176 0.488 . . . . 0.0 110.604 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.807 ' HE2' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -109.73 147.97 32.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.404 0.621 . . . . 0.0 111.559 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.881 ' CE2' HD21 ' A' ' 64' ' ' LEU . 27.0 m-85 -111.33 142.83 43.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.011 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.704 ' OG1' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -106.11 119.54 39.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.92 0.39 . . . . 0.0 110.007 179.253 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -114.14 126.59 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 112.47 19.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.902 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 56.7 tt0 -90.96 117.42 29.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -101.62 140.13 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.241 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.589 ' HB2' HD13 ' A' ' 30' ' ' LEU . 84.8 p -149.21 161.44 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.598 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -91.91 15.73 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.561 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.84 ' CB ' HD11 ' A' ' 30' ' ' LEU . 2.4 t80 -119.02 -26.96 5.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.677 0.275 . . . . 0.0 111.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -168.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.24 146.34 27.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' A' ' 51' ' ' GLU . 18.2 mt -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 177.65 175.46 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 61' ' ' VAL . 14.1 p -178.85 161.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.388 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.807 HG22 ' HE2' ' A' ' 46' ' ' LYS . 2.6 t -92.41 146.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CZ ' ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -124.54 145.77 49.38 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.814 179.332 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.62 131.63 14.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.072 0.463 . . . . 0.0 111.173 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.881 HD21 ' CE2' ' A' ' 47' ' ' PHE . 8.5 mt -72.12 105.47 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.754 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.85 14.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.315 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 67' ' ' THR . 22.1 t -129.42 158.55 42.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.034 0.445 . . . . 0.0 110.369 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.7 m -84.35 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.631 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.28 151.71 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.427 179.202 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -122.3 118.69 29.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.005 0.431 . . . . 0.0 111.946 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.33 179.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.855 0.36 . . . . 0.0 110.751 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.827 HD21 HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -115.17 139.35 49.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.453 . . . . 0.0 111.015 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -124.38 122.12 36.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.861 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.636 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.08 -153.37 5.94 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 119.63 -1.271 . . . . 0.0 114.185 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -155.47 136.08 13.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.427 0.291 . . . . 0.0 110.571 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.797 ' CZ3' HD13 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -111.61 127.6 55.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.94 149.2 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.675 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -118.06 128.52 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.146 0.498 . . . . 0.0 111.384 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.62 103.72 8.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.386 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.93 -108.03 2.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.322 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -115.02 20.83 14.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.553 0.216 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -139.81 158.48 44.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.868 0.366 . . . . 0.0 111.201 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.797 HD13 ' CZ3' ' A' ' 82' ' ' TRP . 2.0 pp -127.83 144.85 51.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.741 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.674 HG22 ' HE3' ' A' ' 92' ' ' LYS . 1.1 mp -128.07 124.21 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.0 112.3 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 82' ' ' TRP . . . -116.09 150.34 18.64 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.156 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.674 ' HE3' HG22 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -152.71 124.66 7.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.363 . . . . 0.0 110.471 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.733 ' HB2' HD22 ' A' ' 102' ' ' LEU . 87.2 m-85 -100.22 172.26 7.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.454 0.645 . . . . 0.0 111.926 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.615 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -149.1 123.97 9.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.786 179.168 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.499 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 mtp85 -74.09 140.79 45.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.199 0.524 . . . . 0.0 111.387 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.37 -21.4 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.976 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -51.26 -49.44 61.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.222 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.63 29.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.87 51.13 57.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.592 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.615 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 93.0 m-20 -75.23 142.1 43.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 0.6 OUTLIER -82.52 136.09 34.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.45 0.643 . . . . 0.0 112.288 -178.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.827 HD13 HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -137.11 113.14 9.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.965 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.777 ' HB2' HG12 ' A' ' 118' ' ' VAL . 5.0 m-20 -104.7 149.15 25.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.273 0.559 . . . . 0.0 112.064 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.522 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -146.33 117.63 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.478 178.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.6 t -112.94 128.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.669 ' HD3' HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -120.36 115.48 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.829 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.549 ' O ' HD13 ' A' ' 113' ' ' LEU . 3.3 pt-20 -127.76 148.41 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.988 HD13 HD11 ' A' ' 113' ' ' LEU . 7.5 mm -85.92 93.16 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.645 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.516 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 3.1 tp -84.75 115.7 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.09 -126.33 33.15 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.829 -1.177 . . . . 0.0 111.714 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.22 13.52 33.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.924 0.392 . . . . 0.0 110.359 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.518 ' O ' HD22 ' A' ' 113' ' ' LEU . 17.5 mt-10 -132.85 178.56 6.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.283 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.988 HD11 HD13 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -119.05 130.02 55.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 111.847 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 114' ' ' VAL . 7.9 p -104.41 122.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.129 178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 0.5 OUTLIER -112.65 138.77 48.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.338 0.589 . . . . 0.0 112.397 -178.082 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.581 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -138.24 110.82 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.495 179.044 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 6.7 m-85 -111.57 157.42 20.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.194 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.777 HG12 ' HB2' ' A' ' 103' ' ' ASN . 7.2 p -151.31 141.16 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 120.704 0.288 . . . . 0.0 111.24 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.781 ' CG ' HD12 ' A' ' 102' ' ' LEU . 65.6 t80 -155.55 108.39 2.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.729 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.482 ' HG3' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 28.1 89.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.402 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 79.92 -31.58 2.26 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.784 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.928 HG13 ' CG ' ' A' ' 16' ' ' LYS . 12.3 t -83.06 146.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 0.0 111.985 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 3.8 tt0 -162.07 115.58 1.81 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.453 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -118.87 135.8 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.169 0.509 . . . . 0.0 111.475 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -106.83 158.16 17.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.654 ' HD3' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -162.78 122.85 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.558 -0.857 . . . . 0.0 113.051 -178.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 10' ' ' ARG . 2.2 mm -89.95 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.882 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 13.7 t80 -130.63 155.39 46.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -143.59 161.98 37.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.203 177.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -109.06 151.55 26.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.125 0.488 . . . . 0.0 111.738 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.274 -0.87 . . . . 0.35 110.963 179.886 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.634 ' CE1' HD23 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -71.4 -54.99 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -52.74 104.38 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.808 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.03 -178.62 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.17 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' CE ' ' A' ' 37' ' ' LYS . 96.0 m -88.88 116.76 27.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.871 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.7 m0 -113.73 130.71 56.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.488 0.661 . . . . 0.0 111.736 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.524 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.4 pttt -117.84 123.96 47.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.358 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.763 HG23 ' HD3' ' A' ' 126' ' ' ARG . 1.8 p -72.81 131.27 35.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.114 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.1 t70 -88.31 -61.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 127' ' ' ILE . 0.1 OUTLIER -137.96 160.25 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.878 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.734 ' HG ' ' HD2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -142.78 137.52 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.183 0.516 . . . . 0.0 111.101 179.376 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HG3' ' CB ' ' A' ' 125' ' ' LYS . 3.8 pt-20 -117.38 127.23 53.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.447 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 3.6 m-20 68.1 8.57 6.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.734 ' HD2' ' HG ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -56.18 -45.88 79.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.24 -36.11 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.247 0.546 . . . . 0.0 109.727 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.948 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -47.96 -39.53 19.62 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.745 179.077 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.892 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.8 m-85 -73.6 -35.67 65.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.839 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.656 ' CE ' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -71.15 -21.78 62.14 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -85.8 -59.86 2.18 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.992 -178.085 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.82 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.0 tptp -64.2 -38.9 92.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.735 0.302 . . . . 0.0 111.123 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.55 ' SD ' HD11 ' A' ' 102' ' ' LEU . 4.6 mtp -85.01 -17.63 36.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.071 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.78 7.08 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.237 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.656 HG21 ' CE ' ' A' ' 18' ' ' MET . 73.0 t -81.65 130.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.838 0.352 . . . . 0.0 110.915 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 29.1 t30 -43.67 162.28 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.372 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 26' ' ' VAL . 4.0 tp -86.93 -45.86 16.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.227 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.504 ' N ' HG23 ' A' ' 25' ' ' ILE . 17.4 t -51.3 -49.32 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -76.8 -32.22 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.532 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 1.2 tmm_? -73.69 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.227 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB3' HD23 ' A' ' 30' ' ' LEU . 1.7 tptp -44.54 -58.47 2.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.762 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' A' ' 53' ' ' SER . 0.3 OUTLIER -94.37 -31.72 13.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.134 0.492 . . . . 0.0 110.484 -179.67 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.817 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -69.14 -14.0 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.037 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.502 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -54.84 -45.97 74.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.2 p-80 163.54 -37.37 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.09 -50.99 59.79 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.458 HD22 HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -121.93 79.77 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.926 0.393 . . . . 0.0 111.69 -178.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.817 HD13 ' HA ' ' A' ' 31' ' ' ALA . 14.2 tp -135.18 141.01 45.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.489 ' CE ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -128.22 118.58 23.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.046 179.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.714 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 2.1 tp -104.86 134.48 47.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.189 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.599 ' O ' HG12 ' A' ' 49' ' ' VAL . 87.6 m -123.65 161.11 25.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.0 111.688 -178.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 2' ' ' PHE . 46.5 mt -138.81 146.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.022 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -136.82 163.8 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -119.47 124.53 46.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -159.02 92.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.579 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.74 48.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.897 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 5.56 21.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.004 0.402 . . . . 0.0 110.79 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.765 ' HE2' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.3 144.52 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 111.514 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 5.5 m-30 -111.57 165.92 11.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.807 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.815 HG23 HG23 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -125.29 119.65 29.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.442 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -104.71 118.96 52.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.958 0.408 . . . . 0.0 110.937 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.412 ' H ' ' HB ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -107.98 119.31 39.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.885 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 7.0 mt-10 -107.36 117.82 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -132.55 143.22 49.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.0 111.279 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.734 ' HB2' HD12 ' A' ' 30' ' ' LEU . 48.8 m -149.85 146.94 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.722 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 38.05 -93.69 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.865 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -122.96 -27.05 4.29 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.672 0.272 . . . . 0.0 111.301 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -57.43 173.2 0.28 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.895 0.379 . . . . 0.0 111.191 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -141.67 131.38 24.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.408 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 7.3 mt -142.86 152.98 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.796 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 49' ' ' VAL . 7.2 p -172.94 97.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.742 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.815 HG23 HG23 ' A' ' 48' ' ' THR . 1.9 p -60.04 155.31 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 17.3 m-85 -153.55 164.99 37.28 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.296 -0.561 . . . . 0.0 112.359 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 36.9 tt0 -127.72 152.49 47.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.028 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 33.4 mt -77.37 105.58 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.43 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.57 22.98 9.78 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.912 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 54.9 t -130.08 139.56 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.259 0.552 . . . . 0.0 110.446 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -50.21 145.53 5.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.512 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.649 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -83.02 160.62 21.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.104 178.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -142.64 140.54 31.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 111.847 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.19 179.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.783 0.325 . . . . 0.0 110.482 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.846 HD21 HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.67 124.93 24.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 3.9 mtt85 -133.0 121.39 22.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.254 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.632 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.02 -111.14 0.84 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.345 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.9 p -158.35 175.62 13.49 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.02 0.438 . . . . 0.0 111.255 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 2.3 t90 -155.91 127.67 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.304 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.58 149.49 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -104.5 133.64 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.732 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.45 94.42 4.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.06 -109.6 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.93 20.87 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.741 0.305 . . . . 0.0 111.032 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 156.79 48.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.695 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.815 HD11 ' NE ' ' A' ' 106' ' ' ARG . 4.1 pp -129.57 123.09 30.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.656 HD12 HG13 ' A' ' 105' ' ' VAL . 1.9 mm -100.67 137.48 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.259 0.552 . . . . 0.0 111.668 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -136.73 152.5 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.092 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 157.79 41.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 0.0 111.23 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.885 ' HB2' HD22 ' A' ' 102' ' ' LEU . 34.1 m-85 -136.29 173.27 11.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.666 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -148.19 132.45 17.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.994 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.429 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 14.7 mtp180 -79.25 151.96 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.178 0.513 . . . . 0.0 111.327 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -23.8 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.22 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.63 -36.25 10.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.93 0.395 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.97 39.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.497 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . 0.504 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.34 65.68 2.63 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.587 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.638 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 54.2 m-80 -83.43 135.33 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.372 . . . . 0.0 110.169 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 28.5 mt-10 -69.99 136.13 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.0 112.027 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.885 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.1 tt -142.6 111.22 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.829 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.786 ' HB2' HG12 ' A' ' 118' ' ' VAL . 3.2 m120 -104.32 150.45 24.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.322 0.582 . . . . 0.0 112.24 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.51 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -146.32 117.06 7.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.248 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . 0.656 HG13 HD12 ' A' ' 90' ' ' ILE . 22.0 t -119.49 125.3 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.815 ' NE ' HD11 ' A' ' 89' ' ' LEU . 36.0 mtt180 -107.73 115.64 30.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.657 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.45 143.29 45.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 0.85 HD13 HD12 ' A' ' 113' ' ' LEU . 9.2 mm -88.86 94.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.835 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.0 tp -86.26 58.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.824 0.821 . . . . 0.0 110.519 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.39 -129.42 9.28 Favored Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.137 -1.03 . . . . 0.0 111.733 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.96 -4.67 42.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.546 0.212 . . . . 0.0 110.83 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 42.2 mt-10 -124.83 173.97 8.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.995 0.426 . . . . 0.0 111.144 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.85 HD12 HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -121.11 130.07 53.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.076 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -105.25 107.33 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.487 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -95.55 140.6 30.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.204 -178.405 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.749 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -138.13 109.64 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.766 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.55 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 4.9 m-85 -109.51 159.84 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.173 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.786 HG12 ' HB2' ' A' ' 103' ' ' ASN . 12.3 p -151.52 139.74 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.652 0.263 . . . . 0.0 110.904 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.79 ' CD1' HD12 ' A' ' 102' ' ' LEU . 39.7 t80 -155.03 114.43 3.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 0.0 110.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.44 ' CG ' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 26.08 89.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.339 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 72.85 -6.54 12.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.737 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.948 HG13 ' HG2' ' A' ' 16' ' ' LYS . 13.2 t -107.79 143.8 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.0 111.667 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.467 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.0 tt0 -155.37 114.17 3.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.715 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -120.22 142.15 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.785 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.749 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.81 164.61 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.763 ' HD3' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -159.43 124.57 4.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.917 -0.713 . . . . 0.0 112.812 -178.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.501 HG12 ' HG3' ' A' ' 10' ' ' ARG . 5.0 mm -85.39 148.69 4.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.871 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 50.2 t80 -130.18 153.9 48.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 32.1 mmtm -143.49 157.91 44.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.058 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -108.07 151.15 26.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.05 0.453 . . . . 0.0 111.664 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.206 -0.902 . . . . 0.35 110.923 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' A' ' 84' ' ' LEU . 2.1 m-85 -89.43 -49.61 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 107.24 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.97 178.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.963 0.411 . . . . 0.0 111.346 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.793 HG22 ' HE2' ' A' ' 37' ' ' LYS . 77.6 m -88.64 125.0 34.62 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.853 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 19.4 m0 -116.73 127.84 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 112.895 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 1.6 pttt -116.65 122.55 44.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.198 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.712 HG23 ' HD3' ' A' ' 126' ' ' ARG . 8.5 p -67.02 130.82 32.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.943 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.427 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.0 t70 -89.78 -80.18 0.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.154 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.582 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.3 ptt180 -113.75 156.21 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.044 0.45 . . . . 0.0 110.755 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 p -130.23 144.3 51.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -137.01 132.4 34.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.376 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 0.9 OUTLIER 62.49 11.87 4.98 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.464 0.65 . . . . 0.0 111.002 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TYR . . . . . 0.433 ' CD2' ' O ' ' A' ' 32' ' ' ALA . 0.3 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' MET . 5.1 m-20 -54.2 -26.8 30.23 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.726 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.946 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -55.7 -44.34 77.31 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.306 179.159 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PHE . . . . . 0.778 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.3 m-30 -70.65 -25.11 62.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.961 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.643 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.4 -30.77 70.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.34 178.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.79 -60.02 2.07 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.529 ' CG ' HG23 ' A' ' 122' ' ' VAL . 0.6 OUTLIER -50.33 -47.99 55.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 111.455 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.724 ' SD ' HG22 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -87.47 -27.66 22.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 -179.678 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.61 54.47 2.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.084 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.724 HG22 ' SD ' ' A' ' 21' ' ' MET . 6.6 t -87.52 122.05 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 4.5 m-80 -63.17 178.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.274 0.559 . . . . 0.0 111.516 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.0 tt -90.76 -31.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -50.7 -51.04 21.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -85.62 -31.48 22.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.573 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.5 tmm_? -74.75 -20.85 59.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.774 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ILE . 5.5 mttm -47.21 -46.09 23.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.518 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -99.79 -35.13 9.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 110.434 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -68.75 -15.08 63.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.791 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -56.1 -47.78 77.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 10.5 p80 164.24 -48.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.88 0.371 . . . . 0.0 111.628 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.47 -55.82 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.916 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -111.9 68.94 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.921 0.391 . . . . 0.0 111.305 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 31' ' ' ALA . 25.2 tp -134.27 120.06 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.793 ' HE2' HG22 ' A' ' 5' ' ' THR . 1.1 tmtp? -116.49 115.96 26.76 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.961 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.815 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 5.6 tp -108.15 123.33 48.57 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.483 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 43.5 m -118.48 153.6 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 112.251 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.737 HD12 ' CE2' ' A' ' 6' ' ' TRP . 41.5 mt -131.81 119.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -111.33 176.09 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.818 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.448 ' H ' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -113.7 123.55 50.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.454 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -154.37 88.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.539 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.52 -138.14 37.43 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.971 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.8 1.12 21.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.104 0.452 . . . . 0.0 110.833 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -113.68 149.21 35.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.323 0.582 . . . . 0.0 111.677 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' PHE . 20.9 m-85 -109.03 132.72 53.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.488 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 128.54 37.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.695 0.283 . . . . 0.0 110.538 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.923 HG21 ' CE2' ' A' ' 62' ' ' PHE . 10.2 t -106.92 124.96 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 111.668 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.483 ' H ' ' HB ' ' A' ' 39' ' ' THR . 11.1 ttmt -117.86 112.24 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.225 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.583 ' OE2' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -98.48 142.76 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.0 111.116 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -129.86 143.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.818 ' HB3' HD22 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -147.28 -178.52 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.795 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.89 -16.71 15.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.587 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.862 ' HB2' HD21 ' A' ' 30' ' ' LEU . 12.1 m-85 -111.09 -26.68 9.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.664 0.269 . . . . 0.0 111.306 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.18 -166.85 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 111.047 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -135.37 159.23 42.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.546 HG21 ' OH ' ' A' ' 70' ' ' TYR . 1.7 mt -150.11 162.33 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.781 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -175.71 169.98 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.361 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.612 HG13 ' CE1' ' A' ' 62' ' ' PHE . 4.2 p 178.07 125.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.21 142.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.863 0.363 . . . . 0.0 110.292 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' PHE . . . . . 0.923 ' CE2' HG21 ' A' ' 49' ' ' VAL . 21.4 m-30 -122.14 154.04 37.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.56 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.661 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -149.93 154.36 38.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.794 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -81.88 99.11 8.86 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.651 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.42 24.82 5.21 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.193 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 63' ' ' GLU . 1.4 p -122.31 161.28 23.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.032 0.444 . . . . 0.0 110.403 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -87.45 143.62 27.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.552 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.647 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -82.42 156.12 24.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.87 -179.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -142.6 118.83 10.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TYR . . . . . 0.546 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.287 179.73 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 . . . . . 0 C--O 1.231 0.119 0 N-CA-C 110.094 -0.335 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.877 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -102.76 118.21 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.0 111.374 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ARG . . . . . 0.822 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 1.6 ttp180 -124.85 117.72 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLY . . . . . 0.636 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.27 -126.17 2.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.176 -1.011 . . . . 0.0 112.67 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 80' ' ' GLY . 18.6 p -157.72 175.38 13.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.199 0.523 . . . . 0.0 111.409 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' TRP . . . . . 0.801 ' CZ2' HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -145.83 127.96 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.471 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 90' ' ' ILE . 13.6 m -138.43 149.54 45.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.0 111.344 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -121.46 124.99 45.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.609 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -114.04 94.31 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.767 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.39 -101.5 0.29 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.88 21.07 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.72 0.295 . . . . 0.0 110.794 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -124.39 148.84 47.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.939 0.4 . . . . 0.0 111.084 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . 0.801 HD11 ' CZ2' ' A' ' 82' ' ' TRP . 1.7 tm? -129.7 128.48 42.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -126.53 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.228 0.537 . . . . 0.0 111.957 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLY . . . . . 0.516 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -130.69 156.61 21.75 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.102 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -152.05 158.9 43.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.169 0.484 . . . . 0.0 111.719 -178.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PHE . . . . . 0.647 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 52.2 m-85 -141.69 170.6 15.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.872 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.822 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.62 124.1 8.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.137 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.2 mtp180 -76.25 144.9 40.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.261 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -21.76 43.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.7 -38.67 48.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.082 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.79 31.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.6 36.99 66.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.63 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 27.5 m120 -63.48 136.24 57.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 8.7 mm-40 -83.21 149.36 26.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 0.0 111.702 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.877 HD13 ' CD2' ' A' ' 78' ' ' LEU . 4.3 tt -143.83 111.92 6.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.467 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.719 ' HB2' HG12 ' A' ' 118' ' ' VAL . 3.8 m120 -102.94 150.6 23.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.364 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' THR . . . . . 0.443 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -146.04 117.55 8.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.486 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.59 118.49 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.539 ' HD3' HD12 ' A' ' 113' ' ' LEU . 3.5 ttm180 -114.17 116.26 28.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.22 137.38 52.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.597 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 113' ' ' LEU . 8.4 mm -75.1 83.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.5 tp -75.42 118.53 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 48.98 -121.13 7.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.892 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 15.91 27.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.445 . . . . 0.0 110.261 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLU . . . . . 0.524 ' O ' HD22 ' A' ' 113' ' ' LEU . 26.0 mt-10 -132.8 177.79 7.37 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.421 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 1.004 HD11 HD13 ' A' ' 108' ' ' ILE . 2.2 mm? -119.76 130.35 54.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.063 0.459 . . . . 0.0 111.864 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 114' ' ' VAL . 6.3 p -105.53 107.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.348 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.2 mt-30 -94.18 138.89 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.191 0.519 . . . . 0.0 112.209 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' THR . . . . . 0.856 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.93 114.35 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.747 179.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.3 m-85 -115.95 156.51 26.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.494 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' VAL . . . . . 0.719 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.9 p -150.98 129.76 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 120.671 0.272 . . . . 0.0 111.511 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' TYR . . . . . 0.605 ' HB2' HD12 ' A' ' 102' ' ' LEU . 43.1 t80 -139.94 116.16 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.471 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 9.6 mm-40 25.03 89.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.998 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.2 -36.99 2.87 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.676 -0.773 . . . . 0.0 114.65 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.946 HG13 ' HG2' ' A' ' 16' ' ' LYS . 3.2 t -95.67 144.26 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.491 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 3.7 tt0 -140.9 117.59 10.96 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.314 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -120.4 136.08 54.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.0 111.525 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.856 ' HG3' HG23 ' A' ' 116' ' ' THR . 4.3 mtmt -108.04 164.81 11.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.489 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.712 ' HD3' HG23 ' A' ' 8' ' ' VAL . 4.6 ttm180 -159.41 116.22 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.188 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ILE . . . . . 0.582 HG12 ' HG3' ' A' ' 10' ' ' ARG . 3.7 mm -80.87 138.08 20.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' PHE . . . . . 0.853 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 29.9 t80 -117.89 153.9 32.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.497 0.665 . . . . 0.0 112.764 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 3.5 mmmm -143.01 161.87 36.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.076 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 151.72 22.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.171 0.51 . . . . 0.0 111.939 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.185 -0.912 . . . . 0.35 110.953 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.368 0 CA-C-O 120.868 0.366 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.896 ' CZ ' HD23 ' A' ' 89' ' ' LEU . 1.9 m-85 -89.5 -48.86 7.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -53.47 110.84 0.61 Allowed 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.4 178.6 0.08 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.958 0.409 . . . . 0.0 111.124 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 96.2 m -88.79 121.0 30.7 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.054 -0.721 . . . . 0.0 109.054 178.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.874 ' HB2' ' O ' ' A' ' 38' ' ' LEU . 19.3 m0 -114.46 129.25 56.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.512 0.672 . . . . 0.0 112.091 -178.16 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.532 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -120.53 112.98 19.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 114.796 -1.093 . . . . 0.0 110.255 178.948 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.839 HG21 ' HD2' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -64.2 139.53 21.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.098 -179.88 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -100.84 -73.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.222 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.592 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.1 ptp85 -118.39 161.82 19.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.868 0.366 . . . . 0.0 110.863 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.507 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 12.7 p -139.04 161.97 36.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.105 -179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -138.99 129.64 26.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.676 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 5.8 m-20 59.6 16.59 5.49 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-O 121.124 0.488 . . . . 0.0 111.19 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE1' ' HA ' ' A' ' 32' ' ' ALA . 9.4 t80 -56.74 -44.49 81.73 Favored 'General case' 0 N--CA 1.45 -0.466 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 18' ' ' MET . 24.6 t0 -57.7 -30.63 65.66 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.823 -0.626 . . . . 0.0 109.616 178.182 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.999 ' HG2' HG13 ' A' ' 122' ' ' VAL . 1.0 OUTLIER -51.97 -42.72 63.15 Favored 'General case' 0 CA--C 1.516 -0.348 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.493 179.238 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.899 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.1 m-85 -71.09 -30.4 66.49 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.784 -179.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.731 ' HE3' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -64.94 -32.05 73.58 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.181 179.041 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -87.75 -60.7 1.9 Allowed 'General case' 0 CA--C 1.53 0.182 0 N-CA-C 112.808 0.67 . . . . 0.0 112.808 -178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.81 ' HB2' HG21 ' A' ' 122' ' ' VAL . 2.0 tptp -58.36 -38.19 76.74 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.648 0.261 . . . . 0.0 111.36 -179.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.474 ' HG2' ' CD2' ' A' ' 119' ' ' TYR . 4.9 mtm -90.08 -17.54 27.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.959 179.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 71.51 50.15 21.86 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.937 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.78 HG22 HG21 ' A' ' 76' ' ' THR . 5.7 t -87.18 125.66 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.78 0.324 . . . . 0.0 110.789 -179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.606 HD21 HG23 ' A' ' 26' ' ' VAL . 7.0 t-20 -50.34 156.33 0.87 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 121.183 0.516 . . . . 0.0 111.236 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.454 ' O ' ' HD3' ' A' ' 29' ' ' LYS . 14.4 tt -88.72 -40.21 13.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.242 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.606 HG23 HD21 ' A' ' 24' ' ' ASN . 22.5 t -52.84 -44.16 47.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.209 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.01 -32.36 45.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.185 0.517 . . . . 0.0 109.953 179.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.564 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.2 tmm_? -73.24 -20.2 60.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.364 179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.454 ' HD3' ' O ' ' A' ' 25' ' ' ILE . 0.0 OUTLIER -42.09 -56.43 2.85 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.613 HD13 ' H ' ' A' ' 54' ' ' ALA . 11.7 mt -98.22 -21.98 16.4 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.056 -179.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.789 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -78.85 -14.67 59.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.576 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.528 ' HA ' ' CE1' ' A' ' 14' ' ' TYR . . . -55.84 -48.24 75.83 Favored 'General case' 0 C--N 1.332 -0.155 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -178.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.507 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 6.3 p-80 165.26 -39.15 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.804 0.335 . . . . 0.0 111.548 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 5.4 p30 -54.54 -58.06 8.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.878 -178.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -119.53 63.81 0.8 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.967 0.413 . . . . 0.0 111.022 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.789 HD23 ' HA ' ' A' ' 31' ' ' ALA . 3.5 tm? -120.83 127.07 51.58 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.043 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.5 tppt? -115.52 119.98 37.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.872 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.874 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 4.9 tp -112.22 111.75 22.86 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.376 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.425 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 58.5 m -100.66 144.89 29.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.932 0.396 . . . . 0.0 111.519 -178.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.695 HD12 ' CE2' ' A' ' 6' ' ' TRP . 77.3 mt -122.4 125.25 72.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.203 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -134.65 66.98 1.52 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.167 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 47' ' ' PHE . 44.3 mt-30 -51.51 119.58 4.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.77 -179.3 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -129.81 100.97 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.03 179.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.77 -128.87 45.94 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.481 -0.866 . . . . 0.0 111.691 -179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -88.69 15.11 8.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 117.288 0.544 . . . . 0.0 110.646 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.546 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -138.16 137.68 37.88 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.234 -179.876 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 62' ' ' PHE . 10.6 m-30 -112.07 132.43 54.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.888 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.71 137.92 31.92 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.587 -0.279 . . . . 0.0 110.623 179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.771 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 18.7 t -119.56 111.8 34.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.989 0.423 . . . . 0.0 111.514 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.425 ' H ' ' HB ' ' A' ' 39' ' ' THR . 16.8 tptm -107.01 111.79 24.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.109 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.455 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.9 mt-10 -96.9 134.1 40.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.071 0.462 . . . . 0.0 111.382 -179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 4.1 t -116.14 140.07 49.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.597 179.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.5 171.53 16.46 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.781 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.613 ' H ' HD13 ' A' ' 30' ' ' LEU . . . -51.71 -69.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.259 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 t80 -116.52 -26.69 6.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.254 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.74 153.94 20.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.84 0.352 . . . . 0.0 111.008 -179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -133.52 147.78 51.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.429 ' HB ' ' HB2' ' A' ' 51' ' ' GLU . 3.3 mt -146.2 155.41 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.877 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 60' ' ' VAL . 1.5 tt0 -169.41 144.22 3.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.838 -179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.425 HG13 ' CE1' ' A' ' 62' ' ' PHE . 5.6 p -156.79 121.75 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.301 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.499 ' HB ' ' HE2' ' A' ' 46' ' ' LYS . 0.3 OUTLIER -75.73 150.39 6.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 179.175 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.771 ' CZ ' HG21 ' A' ' 49' ' ' VAL . 21.6 m-30 -124.89 151.24 45.6 Favored 'General case' 0 CA--C 1.512 -0.488 0 CA-C-O 120.821 0.343 . . . . 0.0 110.487 -179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 19.2 tt0 -149.37 118.39 6.73 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.466 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 83' ' ' SER . 44.5 mt -60.03 107.27 0.61 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.971 0.415 . . . . 0.0 110.742 -179.475 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 104.26 25.55 7.0 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.904 -0.665 . . . . 0.0 111.967 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.5 HG12 ' N ' ' A' ' 67' ' ' THR . 48.5 t -136.54 160.84 37.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.895 0.379 . . . . 0.0 110.412 179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.66 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -84.07 148.3 26.9 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 0.0 112.221 -178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.585 ' CE1' ' CD1' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -83.28 153.82 24.46 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.296 -0.865 . . . . 0.0 109.806 179.16 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.1 m120 -136.55 126.59 26.08 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.966 0.413 . . . . 0.0 111.436 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.452 ' CE1' ' C15' ' A' ' 201' ' ' KTR . 0.1 OUTLIER -154.57 39.1 0.44 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.546 179.577 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -70.68 113.36 7.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.886 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 3.1 tp -142.38 97.36 3.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.27 -27.28 45.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.145 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -30.64 67.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -125.7 -77.53 0.29 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.498 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.78 HG21 HG22 ' A' ' 23' ' ' VAL . 12.6 t -158.39 165.34 34.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.881 0.372 . . . . 0.0 111.284 -179.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -126.46 121.69 33.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 179.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.828 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.82 124.41 23.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.956 0.408 . . . . 0.0 111.242 -179.653 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.803 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -128.1 125.13 38.61 Favored 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.921 -179.857 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.66 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -146.03 -120.17 1.27 Allowed Glycine 0 C--O 1.226 -0.389 0 C-N-CA 120.01 -1.09 . . . . 0.0 112.815 179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.457 ' O ' ' N ' ' A' ' 92' ' ' LYS . 3.3 p -158.02 175.45 13.8 Favored 'General case' 0 N--CA 1.462 0.152 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.695 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 0.4 OUTLIER -152.29 128.19 10.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.502 179.47 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.416 ' HA ' HD22 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -147.1 149.25 32.67 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.733 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.402 ' CD1' ' HB3' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -119.47 129.11 54.57 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.995 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -115.55 94.52 4.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.494 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.75 -103.77 1.7 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.223 -179.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -114.53 20.98 14.95 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.638 0.256 . . . . 0.0 111.219 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -134.3 142.68 47.36 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.881 0.372 . . . . 0.0 111.218 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.896 HD23 ' CZ ' ' A' ' 2' ' ' PHE . 3.8 pp -116.3 139.48 50.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.589 179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.848 HG22 ' HE3' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -128.54 95.73 2.94 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.935 0.398 . . . . 0.0 111.845 -179.719 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.59 ' O ' HG22 ' A' ' 104' ' ' THR . . . -85.17 167.75 41.91 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 121.03 -0.605 . . . . 0.0 111.938 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.848 ' HE3' HG22 ' A' ' 90' ' ' ILE . 1.0 OUTLIER -154.88 158.64 39.63 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.026 0.441 . . . . 0.0 111.81 -179.669 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.664 ' HB3' HD23 ' A' ' 78' ' ' LEU . 59.1 m-85 -144.88 171.45 14.42 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.984 177.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.803 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -153.71 127.31 8.71 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.195 178.492 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.478 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 0.9 OUTLIER -77.1 145.69 37.68 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.026 0.441 . . . . 0.0 111.095 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -78.96 -20.27 49.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.981 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -50.69 -49.79 56.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.12 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -155.72 30.73 0.37 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.833 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 56.6 49.85 67.02 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.542 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.633 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 23.6 m120 -73.73 137.46 44.01 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 110.16 -0.311 . . . . 0.0 110.16 179.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -83.29 139.46 33.06 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.388 0.613 . . . . 0.0 111.832 -178.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.828 HD13 ' CD2' ' A' ' 78' ' ' LEU . 4.5 tt -135.5 127.47 29.59 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.976 -1.011 . . . . 0.0 110.808 -179.835 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.746 ' HB2' HG12 ' A' ' 118' ' ' VAL . 2.0 m120 -121.31 148.63 44.06 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.932 0.396 . . . . 0.0 111.663 -179.115 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 91' ' ' GLY . 4.7 t -146.81 128.39 15.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.885 179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.692 HG22 HG23 ' A' ' 90' ' ' ILE . 21.4 t -125.27 114.82 41.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.153 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.638 ' CG ' HD11 ' A' ' 89' ' ' LEU . 28.5 mtt180 -105.93 116.36 31.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.82 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.876 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.0 OUTLIER -113.18 155.42 25.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.72 -179.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.023 HD13 HD11 ' A' ' 113' ' ' LEU . 4.7 mm -91.32 93.91 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.538 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.843 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.1 tp -83.75 59.15 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.803 0.811 . . . . 0.0 110.717 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 84.69 -127.95 8.41 Favored Glycine 0 N--CA 1.435 -1.398 0 C-N-CA 120.034 -1.079 . . . . 0.0 111.977 -179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -76.03 -4.3 40.54 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.751 -0.224 . . . . 0.0 111.149 179.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.498 ' O ' HD22 ' A' ' 113' ' ' LEU . 30.7 mt-10 -128.5 175.63 8.38 Favored 'General case' 0 CA--C 1.522 -0.108 0 CA-C-O 121.027 0.441 . . . . 0.0 111.168 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.023 HD11 HD13 ' A' ' 108' ' ' ILE . 1.7 mm? -121.35 130.5 53.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.188 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.54 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.7 p -105.24 108.02 23.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.783 178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.488 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 5.3 mt-30 -98.08 139.94 33.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.203 0.525 . . . . 0.0 112.089 -178.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.784 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.08 114.15 10.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.711 179.119 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -114.31 149.7 35.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.57 -179.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.746 HG12 ' HB2' ' A' ' 103' ' ' ASN . 10.0 p -139.29 143.21 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.467 0 CA-C-O 120.873 0.368 . . . . 0.0 110.616 178.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.539 ' CG ' HD12 ' A' ' 102' ' ' LEU . 68.4 t80 -155.34 104.02 2.38 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.072 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.9 OUTLIER 26.08 88.19 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.415 -0.811 . . . . 0.0 112.222 -179.268 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 78.52 -19.57 4.78 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.928 -0.653 . . . . 0.0 114.292 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.999 HG13 ' HG2' ' A' ' 16' ' ' LYS . 54.1 t -107.18 108.43 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 117.388 0.594 . . . . 0.0 112.472 -178.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.2 OUTLIER -115.96 117.76 31.05 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.75 178.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.518 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -119.49 135.75 54.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.93 0.395 . . . . 0.0 111.071 -179.33 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.784 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.12 164.83 11.83 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 179.724 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.839 ' HD2' HG21 ' A' ' 8' ' ' VAL . 7.4 ttp85 -159.96 114.43 2.28 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.102 -0.639 . . . . 0.0 112.622 -178.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.592 HG12 ' HG3' ' A' ' 10' ' ' ARG . 4.0 mm -80.78 138.84 19.03 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.859 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 33.5 t80 -117.43 155.75 29.13 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.059 0.762 . . . . 0.0 113.059 -177.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.501 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 38.4 mttm -142.77 161.38 38.25 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 114.65 -1.159 . . . . 0.0 109.197 178.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -108.71 151.55 26.03 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 121.136 0.494 . . . . 0.0 111.657 -179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.067 0 CA-C-O 118.224 -0.893 . . . . 0.35 110.941 179.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' KTR . . . . . 0.452 ' C15' ' CE1' ' A' ' 70' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.872 0.368 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.593 ' CE1' HD23 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -89.48 -55.22 3.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.863 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -59.23 109.75 0.93 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.641 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.3 -175.78 0.15 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.905 0.383 . . . . 0.0 111.3 -179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.5 m -88.95 116.62 27.37 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 178.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.859 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.5 m0 -114.37 125.89 54.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.689 0.757 . . . . 0.0 112.177 -178.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.528 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -116.65 123.61 47.7 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.87 178.185 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.803 HG21 ' HD2' ' A' ' 126' ' ' ARG . 2.6 p -72.99 135.63 27.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.392 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.421 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 32.4 t70 -95.04 -75.07 0.53 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.221 -179.545 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.51 ' CG ' ' CG1' ' A' ' 127' ' ' ILE . 0.0 OUTLIER -113.89 155.14 26.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.733 0.301 . . . . 0.0 110.694 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.406 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 93.3 p -130.26 153.18 48.88 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.012 0.434 . . . . 0.0 111.094 -179.793 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -134.72 123.71 24.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.888 -0.597 . . . . 0.0 110.734 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.521 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 1.8 m120 60.86 14.34 5.12 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.594 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.463 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.2 OUTLIER -56.61 -43.72 80.44 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 18' ' ' MET . 3.6 t70 -56.26 -31.33 63.47 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.679 -0.691 . . . . 0.0 109.519 178.104 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.939 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -53.7 -43.66 69.16 Favored 'General case' 0 CA--C 1.517 -0.304 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.473 179.266 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.899 ' CE1' HG12 ' A' ' 122' ' ' VAL . 1.9 m-85 -72.18 -23.55 61.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.627 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.617 ' CG ' ' HG3' ' A' ' 28' ' ' ARG . 0.0 OUTLIER -70.38 -36.35 74.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.666 178.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -87.61 -60.94 1.84 Allowed 'General case' 0 CA--C 1.53 0.175 0 N-CA-C 112.698 0.629 . . . . 0.0 112.698 -178.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.833 ' HB2' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -52.85 -47.25 67.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.69 0.281 . . . . 0.0 111.265 -179.163 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.772 ' SD ' HD11 ' A' ' 78' ' ' LEU . 3.5 tmm? -77.16 -28.41 54.13 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.273 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 72.14 72.03 0.99 Allowed Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.825 -0.703 . . . . 0.0 112.475 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.536 HG12 ' SD ' ' A' ' 21' ' ' MET . 5.9 m -97.04 -178.72 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.836 0.351 . . . . 0.0 110.871 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -101.87 120.48 40.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.419 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.82 ' O ' HD13 ' A' ' 25' ' ' ILE . 0.2 OUTLIER -53.69 -31.81 20.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.138 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.511 HG12 HH22 ' A' ' 56' ' ' ARG . 21.3 t -50.82 -49.99 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.799 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.08 -32.2 22.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.982 0.42 . . . . 0.0 110.676 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.636 ' HD3' ' HB2' ' A' ' 32' ' ' ALA . 2.5 tmm_? -63.87 -21.61 66.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.199 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.72 ' HE2' HD12 ' A' ' 25' ' ' ILE . 0.1 OUTLIER -48.48 -39.83 24.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.746 0.308 . . . . 0.0 111.177 179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.678 HD13 ' CB ' ' A' ' 53' ' ' SER . 2.1 mt -107.9 -13.82 14.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.054 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.647 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -93.28 -14.43 26.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.476 -0.329 . . . . 0.0 111.719 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.636 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -55.62 -47.36 76.7 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.943 0.349 . . . . 0.0 111.943 -178.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.7 p-80 160.11 -38.13 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.796 0.331 . . . . 0.0 111.414 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -56.59 -57.88 10.45 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.676 -179.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 67.9 m-20 -116.15 49.14 1.15 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.914 0.388 . . . . 0.0 111.147 -179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.647 HD23 ' HA ' ' A' ' 31' ' ' ALA . 2.8 tm? -102.17 122.78 44.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.49 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 1.9 tppp? -114.32 116.76 29.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.093 179.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.734 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.7 tp -111.26 128.78 56.04 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.156 -0.929 . . . . 0.0 108.924 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.461 ' O ' HG12 ' A' ' 49' ' ' VAL . 90.3 m -124.41 161.44 25.99 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.949 0.404 . . . . 0.0 111.645 -178.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.492 HD12 ' CE2' ' A' ' 6' ' ' TRP . 43.0 mt -139.15 128.23 29.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.322 -179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.542 HG22 ' H ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -122.15 -175.66 3.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 109.964 179.277 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.542 ' H ' HG22 ' A' ' 41' ' ' THR . 1.8 tm0? -138.13 129.69 27.92 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.487 ' O ' ' HD3' ' A' ' 46' ' ' LYS . 0.7 OUTLIER -155.31 95.78 1.74 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.226 -0.897 . . . . 0.0 109.203 178.285 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 59.89 -139.72 48.3 Favored Glycine 0 N--CA 1.45 -0.431 0 C-N-CA 119.994 -1.098 . . . . 0.0 111.36 -178.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -82.13 1.21 37.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 117.238 0.519 . . . . 0.0 110.907 179.126 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.697 ' HZ1' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -109.08 142.21 40.12 Favored 'General case' 0 C--O 1.231 0.115 0 CA-C-O 121.113 0.482 . . . . 0.0 110.96 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.668 ' C ' ' HE3' ' A' ' 46' ' ' LYS . 21.0 m-30 -109.74 147.76 32.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.027 -179.042 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.439 ' OG1' ' HB ' ' A' ' 41' ' ' THR . 0.3 OUTLIER -107.28 120.19 41.47 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.917 0.389 . . . . 0.0 111.1 -179.3 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.669 HG22 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -103.16 111.11 31.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.388 179.331 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.98 111.9 24.04 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.612 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.49 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.0 mt-10 -98.33 119.08 36.39 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.817 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -101.89 142.87 32.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.999 -179.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.678 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -149.36 147.79 28.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.813 179.913 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.514 ' C ' ' O ' ' A' ' 53' ' ' SER . . . 8.4 -88.29 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.846 0.684 . . . . 0.0 112.846 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 56' ' ' ARG . 6.2 p90 -122.59 -27.32 4.39 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.283 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.511 HH22 HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -64.11 -178.35 0.34 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.799 0.333 . . . . 0.0 110.866 -179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -136.64 125.85 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.009 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.449 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 45.4 mt -125.09 147.79 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.733 179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.593 ' O ' HG23 ' A' ' 60' ' ' VAL . 30.5 tt0 -158.91 162.05 36.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.117 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.593 HG23 ' O ' ' A' ' 59' ' ' GLU . 23.1 t -160.65 159.66 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.309 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.697 HG22 ' HZ1' ' A' ' 46' ' ' LYS . 2.5 t -126.66 147.84 31.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.673 178.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.669 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -156.82 124.94 5.59 Favored 'General case' 0 CA--C 1.509 -0.617 0 CA-C-O 121.666 0.746 . . . . 0.0 110.959 179.443 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 4.3 tt0 -107.9 142.27 38.24 Favored 'General case' 0 N--CA 1.441 -0.925 0 CA-C-N 114.605 -1.179 . . . . 0.0 110.96 -179.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 28.0 mt -59.35 104.3 0.25 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.664 -179.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 98.67 16.92 29.94 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.01 -179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.428 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 42.3 t -131.73 131.36 62.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 121.245 0.545 . . . . 0.0 110.599 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.673 HG21 ' HD3' ' A' ' 79' ' ' ARG . 4.4 m -41.28 142.85 0.5 Allowed 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.187 -0.915 . . . . 0.0 112.8 -178.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.763 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -81.65 151.68 27.48 Favored 'General case' 0 CA--C 1.52 -0.185 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.625 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.0 p30 -124.05 118.58 27.28 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.133 0.492 . . . . 0.0 112.013 -179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.463 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 1.5 t80 -160.21 51.55 0.31 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.95 178.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.795 ' C ' HD13 ' A' ' 72' ' ' LEU . 22.2 p-10 -114.8 105.14 12.67 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.789 -0.641 . . . . 0.0 111.405 -179.398 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.795 HD13 ' C ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -151.87 158.63 43.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.895 179.57 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.95 -28.62 38.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.08 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -97.66 29.57 3.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.753 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 76' ' ' THR . . . 177.19 34.56 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.71 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.523 HG21 ' SD ' ' A' ' 21' ' ' MET . 14.8 t 44.21 -159.9 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.84 0.352 . . . . 0.0 111.25 179.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.476 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 4.3 mt-10 -121.72 109.65 14.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.282 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.846 HD21 HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -125.05 116.65 22.44 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 120.984 0.421 . . . . 0.0 110.533 179.551 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.673 ' HD3' HG21 ' A' ' 67' ' ' THR . 0.1 OUTLIER -124.57 121.55 35.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.02 -179.531 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.629 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.52 -123.05 1.64 Allowed Glycine 0 C--N 1.332 0.314 0 C-N-CA 120.172 -1.013 . . . . 0.0 112.79 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.667 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 19.1 p -157.72 150.4 22.85 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.89 0.376 . . . . 0.0 111.055 179.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.828 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 0.3 OUTLIER -127.51 127.07 43.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.347 179.383 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -144.25 149.36 36.2 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.974 -179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.537 HD13 ' HE2' ' A' ' 47' ' ' PHE . 0.3 OUTLIER -120.35 129.84 54.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.934 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -119.61 99.32 6.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.675 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.62 -106.75 2.17 Favored Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.655 -0.784 . . . . 0.0 112.355 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -114.59 20.89 14.99 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.663 0.268 . . . . 0.0 111.317 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.1 144.53 47.22 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.947 0.404 . . . . 0.0 111.188 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.828 HD13 ' CZ2' ' A' ' 82' ' ' TRP . 4.1 pp -114.2 140.38 48.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.752 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.629 HG23 HG22 ' A' ' 105' ' ' VAL . 1.1 mp -128.33 96.0 3.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.881 0.372 . . . . 0.0 111.576 -179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.451 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -84.73 167.11 42.0 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.023 179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.601 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -153.86 155.02 34.96 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.977 0.418 . . . . 0.0 111.457 -179.506 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.906 ' HB2' HD22 ' A' ' 102' ' ' LEU . 71.8 m-85 -145.35 171.26 14.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.386 178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.522 ' HG2' ' HA2' ' A' ' 99' ' ' GLY . 0.0 OUTLIER -152.61 130.78 11.93 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.352 -0.84 . . . . 0.0 110.114 177.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.481 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.5 mtp180 -75.82 140.8 42.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.048 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -70.96 -22.56 62.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.472 -0.785 . . . . 0.0 111.097 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -50.71 -41.24 55.93 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.138 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -171.71 35.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.666 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.522 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.93 62.75 4.72 Favored Glycine 0 N--CA 1.449 -0.458 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.754 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 9.9 m-20 -79.3 132.74 36.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.949 0.404 . . . . 0.0 110.315 179.569 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.436 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 30.4 mt-10 -66.93 132.25 47.57 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.589 -179.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.906 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.8 tt -140.93 111.2 6.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.402 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.817 ' HB2' HG12 ' A' ' 118' ' ' VAL . 0.6 OUTLIER -104.87 149.67 25.5 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.221 0.534 . . . . 0.0 111.496 -179.233 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.525 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 2.1 p -141.2 117.52 10.74 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.214 179.423 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.629 HG22 HG23 ' A' ' 90' ' ' ILE . 16.4 t -123.26 124.48 70.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 120.99 0.424 . . . . 0.0 111.3 -179.676 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.808 ' HG2' HD12 ' A' ' 113' ' ' LEU . 11.9 ttm180 -124.94 116.39 22.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.589 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.857 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.0 OUTLIER -111.19 156.45 21.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.792 -179.842 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.031 HD13 HD11 ' A' ' 113' ' ' LEU . 4.6 mm -90.94 95.28 5.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.739 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.836 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.4 tp -84.92 58.73 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 121.826 0.822 . . . . 0.0 110.588 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.02 -128.76 8.87 Favored Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 120.113 -1.041 . . . . 0.0 111.872 -179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -74.8 -5.17 41.94 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.815 -0.193 . . . . 0.0 110.957 179.265 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.542 ' O ' HD22 ' A' ' 113' ' ' LEU . 53.5 mt-10 -128.5 176.47 7.73 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 121.022 0.439 . . . . 0.0 111.097 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.031 HD11 HD13 ' A' ' 108' ' ' ILE . 1.3 mm? -121.64 141.13 51.42 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.42 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 114' ' ' VAL . 4.1 p -114.59 107.88 24.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 178.461 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.489 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 3.0 mt-30 -93.43 139.99 30.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.314 0.578 . . . . 0.0 112.278 -178.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.581 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.35 113.74 10.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.216 -0.902 . . . . 0.0 109.443 179.04 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.525 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 5.9 m-85 -117.03 159.46 22.49 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.649 -179.388 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.817 HG12 ' HB2' ' A' ' 103' ' ' ASN . 11.6 p -151.16 140.24 15.07 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.413 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.925 179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.833 ' CD2' HD12 ' A' ' 102' ' ' LEU . 8.1 t80 -154.85 104.55 2.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.066 0.46 . . . . 0.0 110.607 179.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 39.39 88.88 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.431 -0.804 . . . . 0.0 112.09 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.87 -13.98 0.84 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 114.861 0.704 . . . . 0.0 114.861 178.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.939 HG13 ' HG2' ' A' ' 16' ' ' LYS . 9.4 t -107.87 111.76 37.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 117.9 0.85 . . . . 0.0 112.299 -178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.458 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 0.0 OUTLIER -114.52 119.58 37.31 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.799 178.557 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.521 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -122.31 137.67 54.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.06 0.457 . . . . 0.0 111.928 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.36 165.59 11.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.445 179.512 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.803 ' HD2' HG21 ' A' ' 8' ' ' VAL . 10.7 ttp-105 -162.01 115.1 1.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.284 -0.566 . . . . 0.0 112.435 -179.228 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.51 ' CG1' ' CG ' ' A' ' 10' ' ' ARG . 6.5 mm -77.98 138.21 20.74 Favored 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.214 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.859 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 36.2 t80 -119.52 156.32 30.5 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -178.311 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.461 ' N ' ' CG ' ' A' ' 128' ' ' PHE . 0.4 OUTLIER -143.19 155.11 44.46 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.988 178.06 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.24 151.63 25.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 121.164 0.507 . . . . 0.0 111.768 -179.583 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.066 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.97 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' KTR . . . . . 0.869 ' O2 ' HD21 ' A' ' 102' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.785 0.326 . . . . 0.0 111.067 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.675 ' CZ ' HD11 ' A' ' 89' ' ' LEU . 9.1 m-85 -85.73 -47.24 9.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.929 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 63.1 t0 -52.79 101.42 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.634 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 178.34 -173.52 0.15 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.923 0.392 . . . . 0.0 111.195 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 97.7 m -88.94 117.97 28.33 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 178.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.852 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 14.0 m0 -118.24 121.25 40.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.508 0.67 . . . . 0.0 111.404 -178.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.446 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 5.1 pttp -115.81 119.65 36.7 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.848 -1.069 . . . . 0.0 110.474 179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.743 HG11 HD23 ' A' ' 36' ' ' LEU . 4.2 p -65.07 135.23 28.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.818 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.535 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.3 OUTLIER -81.01 -62.46 1.66 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.572 179.812 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.478 ' CG ' ' HB ' ' A' ' 127' ' ' ILE . 3.6 ptp180 -135.14 158.42 44.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.021 0.439 . . . . 0.0 111.118 179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.412 ' HB2' ' HB2' ' A' ' 33' ' ' HIS . 15.7 m -119.41 147.93 43.81 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.037 -179.3 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -134.21 128.14 33.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.835 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.465 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 6.3 m-20 59.35 14.59 3.81 Favored 'General case' 0 C--O 1.237 0.414 0 CA-C-O 121.144 0.497 . . . . 0.0 111.251 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.511 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -56.91 -47.65 80.07 Favored 'General case' 0 N--CA 1.449 -0.491 0 N-CA-C 109.194 -0.669 . . . . 0.0 109.194 179.199 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' A' ' 18' ' ' MET . 2.0 t70 -54.01 -29.82 44.96 Favored 'General case' 0 C--N 1.333 -0.131 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.09 178.279 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.87 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.4 OUTLIER -55.1 -42.23 72.63 Favored 'General case' 0 CA--C 1.516 -0.355 0 CA-C-N 115.561 -0.745 . . . . 0.0 110.519 179.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.835 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-85 -72.54 -24.54 61.14 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.024 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.657 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.58 -33.1 74.34 Favored 'General case' 0 C--N 1.323 -0.553 0 C-N-CA 120.901 -0.32 . . . . 0.0 110.513 178.718 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -84.12 -61.47 1.8 Allowed 'General case' 0 CA--C 1.531 0.22 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.822 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -64.19 -47.35 80.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 0.0 111.35 -179.119 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.834 ' HG2' HD11 ' A' ' 78' ' ' LEU . 1.7 ttp -72.83 -25.05 60.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.99 63.17 2.33 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.747 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.657 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.4 t -106.54 112.42 39.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.867 0.365 . . . . 0.0 110.864 -179.611 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 37.7 t-20 -53.54 172.08 0.07 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.369 0.604 . . . . 0.0 111.66 -179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.469 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -88.62 -33.79 6.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.181 -0.918 . . . . 0.0 111.165 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 44.0 t -48.84 -52.15 10.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.535 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -84.92 -30.92 23.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.953 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.584 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 1.9 tmm_? -73.78 -22.02 59.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.754 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 25' ' ' ILE . 11.9 mttt -44.0 -36.28 2.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 111.595 -179.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.92 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.9 OUTLIER -104.39 -45.53 4.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.087 0.47 . . . . 0.0 110.486 179.893 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.454 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -62.77 -14.44 44.97 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.821 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.582 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -53.68 -45.62 70.38 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -178.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.449 ' CG ' ' N ' ' A' ' 34' ' ' ASP . 1.5 t-160 177.7 -73.96 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.449 ' N ' ' CG ' ' A' ' 33' ' ' HIS . 1.8 m-20 -48.93 -49.93 37.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.551 -178.08 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.488 ' HB2' ' HA ' ' A' ' 30' ' ' LEU . 0.7 OUTLIER -101.87 61.4 0.88 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.903 0.382 . . . . 0.0 111.675 -178.912 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.743 HD23 HG11 ' A' ' 8' ' ' VAL . 50.1 tp -122.72 115.88 22.81 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.923 179.608 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.503 ' HD3' ' O ' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -116.05 116.84 28.61 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.853 179.48 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.809 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -108.75 112.73 25.17 Favored 'General case' 0 C--N 1.316 -0.864 0 CA-C-N 115.109 -0.95 . . . . 0.0 109.451 -179.596 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 m -103.64 152.99 21.12 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.051 0.453 . . . . 0.0 111.741 -178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.665 HG21 ' HB3' ' A' ' 2' ' ' PHE . 61.5 mt -134.58 131.9 54.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.953 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -124.14 157.05 35.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.773 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -110.8 114.68 28.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.341 -179.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -147.88 89.79 1.78 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.415 179.461 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 54.81 -139.27 40.32 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.715 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -80.02 3.22 20.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.18 0.49 . . . . 0.0 110.875 179.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.577 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -114.85 136.78 52.72 Favored 'General case' 0 N--CA 1.457 -0.105 0 CA-C-O 121.229 0.538 . . . . 0.0 111.381 -179.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.446 ' N ' ' O ' ' A' ' 62' ' ' PHE . 6.2 m-30 -108.83 142.92 38.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.094 179.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.602 HG23 ' CG2' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -101.42 120.25 39.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.814 0.34 . . . . 0.0 110.88 -179.925 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.465 HG21 ' CD2' ' A' ' 62' ' ' PHE . 18.4 t -98.93 120.05 47.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.243 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 2.8 ttmm -118.12 111.84 19.4 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.448 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.469 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -97.16 119.13 35.08 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.007 -179.762 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.4 ' O ' ' HB3' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -101.91 147.34 26.65 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.997 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.92 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -149.63 -171.08 3.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.697 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.706 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -60.97 -68.32 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.025 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -120.06 -26.82 5.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.376 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 5.1 mtt-85 -79.12 164.69 24.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.831 0.348 . . . . 0.0 111.08 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 14.6 p30 -141.71 131.6 24.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.926 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.417 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 6.9 mt -136.3 157.96 37.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.597 ' O ' HG13 ' A' ' 60' ' ' VAL . 0.3 OUTLIER -176.41 160.58 2.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.821 -179.872 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.678 HG23 ' CE2' ' A' ' 62' ' ' PHE . 2.8 m -162.09 107.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.602 ' CG2' HG23 ' A' ' 48' ' ' THR . 0.9 OUTLIER -64.2 147.55 12.3 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.178 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.678 ' CE2' HG23 ' A' ' 60' ' ' VAL . 24.5 m-85 -143.81 165.41 27.77 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 121.673 0.749 . . . . 0.0 112.371 -178.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.577 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 3.4 tt0 -149.76 134.48 17.69 Favored 'General case' 0 N--CA 1.444 -0.757 0 CA-C-N 114.572 -1.194 . . . . 0.0 110.211 -179.78 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.718 HD21 HD12 ' A' ' 84' ' ' LEU . 23.3 mt -59.22 105.23 0.31 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.575 -179.356 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 107.65 22.42 7.36 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.923 -0.656 . . . . 0.0 111.816 -178.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 61.8 t -132.97 147.34 31.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.344 0 CA-C-O 121.118 0.485 . . . . 0.0 110.456 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.614 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -62.21 145.41 53.62 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.552 -0.749 . . . . 0.0 112.474 -178.335 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.661 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.97 162.51 21.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.114 -0.948 . . . . 0.0 109.182 178.716 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.426 ' O ' ' CD2' ' A' ' 70' ' ' TYR . 78.1 m-20 -142.39 141.83 32.33 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.013 0.435 . . . . 0.0 111.727 -179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.431 ' HB2' ' CE1' ' A' ' 93' ' ' PHE . 0.5 OUTLIER -174.75 58.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.295 179.466 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 43.1 t-20 -114.1 129.86 56.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.873 -179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.51 ' HG ' HG22 ' A' ' 76' ' ' THR . 0.6 OUTLIER -177.89 179.94 0.82 Allowed 'General case' 0 C--O 1.236 0.381 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.237 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.405 ' O ' ' N ' ' A' ' 75' ' ' GLY . . . -55.72 -166.08 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.126 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 69.64 -64.5 0.34 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.132 -179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.405 ' N ' ' O ' ' A' ' 73' ' ' ALA . . . 158.63 76.18 0.02 OUTLIER Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.855 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.51 HG22 ' HG ' ' A' ' 72' ' ' LEU . 3.4 t -168.15 136.39 2.29 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.682 0.753 . . . . 0.0 112.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 32.7 mt-10 -161.6 54.75 0.26 Allowed 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 114.266 -1.334 . . . . 0.0 108.54 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.946 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.4 OUTLIER -97.14 128.52 44.13 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.714 -177.531 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 5.9 ttm180 -132.99 118.45 18.85 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.3 -0.864 . . . . 0.0 110.515 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.614 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.5 -119.36 1.53 Allowed Glycine 0 C--O 1.228 -0.263 0 C-N-CA 120.385 -0.912 . . . . 0.0 112.578 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 92' ' ' LYS . 7.2 p -158.14 176.11 12.92 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-O 120.946 0.403 . . . . 0.0 111.133 179.169 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.515 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.2 OUTLIER -143.91 127.84 17.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.129 179.556 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -132.49 150.07 52.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.981 0.419 . . . . 0.0 111.432 -179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.718 HD12 HD21 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -127.35 129.31 47.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.631 179.517 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -129.82 94.45 3.74 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.72 -179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.52 -106.41 1.61 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.344 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 23.8 m120 -109.12 21.04 17.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.713 0.292 . . . . 0.0 111.172 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 15.8 mtmt -137.48 138.59 39.88 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.863 0.364 . . . . 0.0 111.007 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.675 HD11 ' CZ ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER -117.71 146.2 43.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.586 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.754 HG22 ' HE3' ' A' ' 92' ' ' LYS . 1.6 mp -128.0 95.02 2.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.909 0.385 . . . . 0.0 111.811 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' A' ' 82' ' ' TRP . . . -85.9 163.32 36.4 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.012 -0.613 . . . . 0.0 111.746 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.754 ' HE3' HG22 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -153.35 155.84 37.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.109 0.481 . . . . 0.0 111.844 -179.3 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.84 ' HB2' HD22 ' A' ' 102' ' ' LEU . 53.0 m-85 -141.9 171.67 13.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.935 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -154.91 130.44 9.84 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.084 177.63 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.515 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 4.7 mtp85 -78.19 153.0 32.38 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.051 0.453 . . . . 0.0 110.899 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.69 -23.67 45.49 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.327 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -47.44 -35.8 9.04 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.068 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 178.15 40.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.472 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.456 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.24 63.02 4.28 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 121.111 -0.566 . . . . 0.0 112.525 -179.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.532 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 40.0 m-20 -74.98 138.29 42.17 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.73 132.41 41.62 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.434 0.635 . . . . 0.0 111.787 -178.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.946 HD13 ' CD2' ' A' ' 78' ' ' LEU . 5.3 tt -138.52 111.65 7.93 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.899 -1.046 . . . . 0.0 110.165 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.579 ' HA ' ' HG3' ' A' ' 92' ' ' LYS . 12.4 m-20 -108.2 144.56 35.47 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-O 121.194 0.521 . . . . 0.0 111.886 -178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.507 HG21 ' CE2' ' A' ' 117' ' ' TYR . 88.9 m -146.92 128.04 14.67 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.934 179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.599 HG22 HG23 ' A' ' 90' ' ' ILE . 18.0 t -125.05 122.45 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.326 -179.722 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.563 ' HG3' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -115.51 116.33 27.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.882 179.635 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -124.53 131.52 53.48 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.391 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.659 HD13 ' CD1' ' A' ' 113' ' ' LEU . 9.9 mm -61.3 85.19 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.246 -179.623 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 5.1 tp -77.49 116.51 21.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 178.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.55 -126.21 27.78 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 119.791 -1.195 . . . . 0.0 111.538 -178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -97.33 13.79 28.37 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.903 0.383 . . . . 0.0 110.355 178.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.463 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 23.7 mt-10 -131.64 176.18 8.54 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.054 -179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.694 ' HB3' ' HB3' ' A' ' 128' ' ' PHE . 6.7 tp -118.9 128.92 54.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.372 178.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -103.93 106.76 20.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.598 -0.519 . . . . 0.0 109.598 178.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HG3' ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -104.33 105.93 16.25 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.648 -178.745 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.744 HG23 ' HE2' ' A' ' 125' ' ' LYS . 37.1 m -102.86 110.97 23.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.186 179.371 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.538 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 3.2 m-85 -102.86 156.69 17.48 Favored 'General case' 0 N--CA 1.451 -0.423 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 179.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.573 HG12 ' HB2' ' A' ' 103' ' ' ASN . 7.9 p -150.5 140.28 15.76 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.46 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.941 179.013 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.645 ' CD2' HD12 ' A' ' 102' ' ' LEU . 7.1 t80 -155.9 118.02 4.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.468 179.728 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.449 ' C ' ' O ' ' A' ' 119' ' ' TYR . 5.5 mp0 26.51 88.65 0.01 OUTLIER 'General case' 0 N--CA 1.458 -0.072 0 CA-C-N 115.905 -0.588 . . . . 0.0 112.323 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 68.61 -3.44 6.3 Favored Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.874 -0.679 . . . . 0.0 114.086 179.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.87 HG13 ' HG2' ' A' ' 16' ' ' LYS . 6.0 t -108.4 145.73 15.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 117.194 0.497 . . . . 0.0 111.435 -179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 117' ' ' TYR . 5.8 tt0 -156.21 120.79 4.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.527 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -119.81 136.32 54.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.157 0.503 . . . . 0.0 111.181 -179.677 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.744 ' HE2' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -109.24 128.86 55.39 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.606 -0.724 . . . . 0.0 109.093 179.515 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.459 ' CG ' HG21 ' A' ' 8' ' ' VAL . 5.9 ttt-85 -121.6 114.74 21.61 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.667 ' N ' HD12 ' A' ' 127' ' ' ILE . 1.3 mp -81.09 139.53 17.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 177.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.852 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 40.5 t80 -124.1 153.92 40.74 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 113.505 0.928 . . . . 0.0 113.505 -177.763 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.535 ' HG2' ' HB2' ' A' ' 9' ' ' ASP . 0.1 OUTLIER -144.57 156.04 43.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 114.737 -1.119 . . . . 0.0 109.167 177.782 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.1 ptmt -108.72 152.12 25.26 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.161 0.505 . . . . 0.0 112.01 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t0 . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.202 -0.904 . . . . 0.35 110.892 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' KTR . . . . . 0.511 ' H2 ' ' CE1' ' A' ' 14' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.32 0 CA-C-O 120.83 0.348 . . . . 0.0 111.06 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.628 ' CE1' HD21 ' A' ' 89' ' ' LEU . 2.5 m-85 -74.47 -49.88 20.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.45 109.81 0.61 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.791 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 174.71 179.73 0.12 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.98 0.419 . . . . 0.0 111.481 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 92.3 m -88.38 121.38 30.7 Favored 'General case' 0 CA--C 1.519 -0.214 0 N-CA-C 108.412 -0.959 . . . . 0.0 108.412 178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.855 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 18.5 m0 -113.21 126.63 55.64 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.718 0.771 . . . . 0.0 112.445 -177.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -121.3 114.45 21.36 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 114.654 -1.157 . . . . 0.0 109.977 178.429 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.783 HG21 ' CD ' ' A' ' 126' ' ' ARG . 1.9 p -68.49 134.25 30.47 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.893 0 CA-C-N 115.253 -0.885 . . . . 0.0 111.351 -179.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.415 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 27.4 t70 -88.99 -69.35 0.72 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.036 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.519 ' HG3' HD13 ' A' ' 127' ' ' ILE . 9.8 ptt180 -123.05 168.86 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.819 0.342 . . . . 0.0 110.607 179.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 10.4 p -142.53 163.1 33.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.313 -179.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -136.03 127.57 28.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.524 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 8.6 m-20 59.2 16.24 4.75 Favored 'General case' 0 C--O 1.236 0.368 0 CA-C-O 121.12 0.486 . . . . 0.0 111.136 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.654 ' HE1' ' HE1' ' A' ' 18' ' ' MET . 3.7 t80 -56.37 -40.79 75.12 Favored 'General case' 0 N--CA 1.451 -0.418 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.207 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -61.38 -32.78 72.71 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.524 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 1.0 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.9 OUTLIER -48.32 -43.14 32.94 Favored 'General case' 0 CA--C 1.513 -0.445 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.525 179.291 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.827 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-30 -70.41 -38.82 74.68 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.154 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.654 ' HE1' ' HE1' ' A' ' 14' ' ' TYR . 0.0 OUTLIER -53.77 -32.71 53.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.957 178.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.6 mm-40 -87.65 -60.31 2.01 Favored 'General case' 0 CA--C 1.53 0.19 0 N-CA-C 112.059 0.392 . . . . 0.0 112.059 -179.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.747 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.4 OUTLIER -63.38 -20.58 65.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.484 -0.325 . . . . 0.0 111.318 -179.574 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.603 ' HB3' ' O ' ' A' ' 17' ' ' PHE . 30.6 ttp -106.58 -9.64 16.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.203 179.46 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 60.37 51.56 58.0 Favored Glycine 0 N--CA 1.449 -0.459 0 C-N-CA 120.411 -0.9 . . . . 0.0 111.612 -179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.456 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 3.6 t -90.43 123.92 42.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.889 0.376 . . . . 0.0 110.989 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.0 p30 -56.39 148.49 18.89 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.377 -179.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.438 HD13 ' CZ ' ' A' ' 28' ' ' ARG . 6.1 tp -77.59 -31.03 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.105 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 24.7 t -53.76 -47.4 62.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.336 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -84.41 -29.61 26.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.554 179.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.734 ' HD3' ' HB2' ' A' ' 32' ' ' ALA . 2.2 tmm_? -72.7 -25.12 61.12 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.273 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.35 -42.51 14.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.82 0.343 . . . . 0.0 111.301 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.644 HD13 ' HB3' ' A' ' 53' ' ' SER . 0.5 OUTLIER -108.15 -12.65 15.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.167 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.699 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -93.22 -15.98 25.31 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -179.524 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.734 ' HB2' ' HD3' ' A' ' 28' ' ' ARG . . . -56.97 -48.36 78.56 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 112.101 0.408 . . . . 0.0 112.101 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.538 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 13.8 p-80 168.67 -38.68 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 120.832 0.349 . . . . 0.0 111.662 -179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.456 ' N ' ' CD2' ' A' ' 33' ' ' HIS . 16.1 m-20 -54.52 -58.23 8.3 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.136 -0.483 . . . . 0.0 112.042 -178.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -115.63 31.65 6.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.76 0.314 . . . . 0.0 111.526 -179.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.699 HD13 ' HA ' ' A' ' 31' ' ' ALA . 60.4 tp -84.84 116.37 23.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.925 0.393 . . . . 0.0 110.885 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.501 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 2.1 tppp? -108.84 117.73 34.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.325 0.583 . . . . 0.0 110.187 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.726 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.6 tp -114.96 129.05 56.63 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.113 -0.949 . . . . 0.0 108.841 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.416 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 80.5 m -120.69 153.98 36.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.089 0.471 . . . . 0.0 111.942 -178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.743 HD12 ' CE2' ' A' ' 6' ' ' TRP . 65.4 mt -129.18 133.51 65.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 115.529 -0.76 . . . . 0.0 111.248 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.3 m -128.49 159.32 35.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.562 179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -114.1 134.59 54.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.03 0.443 . . . . 0.0 111.588 -179.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -168.51 89.99 0.25 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.145 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 58.84 -136.25 51.35 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.657 -179.204 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -86.91 14.26 7.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 117.276 0.538 . . . . 0.0 110.627 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -129.78 139.9 51.16 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.132 0.491 . . . . 0.0 111.28 -179.682 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' PHE . 8.6 m-30 -110.83 173.23 6.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.781 179.644 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.5 m -126.47 120.0 28.63 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.571 0.225 . . . . 0.0 110.412 179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.509 HG23 ' O ' ' A' ' 60' ' ' VAL . 4.6 t -94.75 111.62 25.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.943 0.401 . . . . 0.0 110.923 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.416 ' H ' ' HB ' ' A' ' 39' ' ' THR . 2.4 mptt -108.23 111.8 23.96 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.354 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.501 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.9 OUTLIER -102.93 150.49 23.47 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.992 -179.777 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.0 m -139.91 152.98 46.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.04 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.644 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.7 OUTLIER -149.53 -171.06 3.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.594 179.861 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.488 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -57.96 -68.69 0.22 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.026 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -117.75 -26.7 6.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.265 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.1 170.23 16.44 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.7 p30 -141.7 146.02 35.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.413 ' HB ' ' HB3' ' A' ' 51' ' ' GLU . 1.2 mt -150.48 154.99 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -178.95 171.42 1.4 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.944 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.509 ' O ' HG23 ' A' ' 49' ' ' VAL . 9.7 p -179.59 139.13 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.969 0.414 . . . . 0.0 111.565 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 62' ' ' PHE . 0.4 OUTLIER -75.34 161.51 4.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.409 179.258 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.588 ' CZ ' ' CZ ' ' A' ' 68' ' ' PHE . 0.1 OUTLIER -136.16 150.37 49.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.648 -179.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.698 ' CD ' HG21 ' A' ' 66' ' ' VAL . 36.1 tt0 -148.94 119.51 7.44 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.755 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.45 HD22 ' N ' ' A' ' 84' ' ' LEU . 21.0 mt -60.45 114.14 2.79 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.811 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.62 24.6 17.7 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.597 -0.811 . . . . 0.0 111.888 -179.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.698 HG21 ' CD ' ' A' ' 63' ' ' GLU . 21.7 t -135.95 160.57 38.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.986 0.422 . . . . 0.0 110.495 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.63 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.3 m -79.51 141.85 36.32 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.023 -178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.709 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.5 OUTLIER -81.74 154.16 26.15 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.102 -0.703 . . . . 0.0 109.102 178.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.2 m-20 -125.59 132.12 52.58 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.188 0.518 . . . . 0.0 112.255 -178.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.414 ' CZ ' ' O1 ' ' A' ' 201' ' ' KTR . 0.4 OUTLIER -157.98 42.39 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.129 179.051 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.426 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 0.7 OUTLIER -45.1 -87.64 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.224 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.73 -179.511 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.725 HD23 ' HA3' ' A' ' 75' ' ' GLY . 6.0 tp 53.74 87.2 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.761 0.315 . . . . 0.0 110.685 -179.712 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -45.71 -40.49 9.4 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.521 -179.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.55 36.89 2.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.79 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.725 ' HA3' HD23 ' A' ' 72' ' ' LEU . . . -126.62 -74.62 0.21 Allowed Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.629 -179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.419 HG21 ' C14' ' A' ' 201' ' ' KTR . 13.2 t -160.6 -44.2 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.708 0.29 . . . . 0.0 111.564 -179.398 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.426 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 1.7 mt-10 69.64 85.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.768 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.828 HD21 HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -132.1 131.11 42.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.955 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.495 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -131.16 117.88 19.68 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.236 -179.354 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.63 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -140.95 -117.29 1.36 Allowed Glycine 0 C--O 1.228 -0.254 0 C-N-CA 120.289 -0.958 . . . . 0.0 112.891 179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.57 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 16.4 p -157.74 175.62 13.66 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-O 121.068 0.461 . . . . 0.0 111.152 179.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.565 ' CD1' ' CZ ' ' A' ' 62' ' ' PHE . 10.1 t90 -156.73 126.82 6.41 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.816 -0.629 . . . . 0.0 109.584 179.496 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -144.57 149.32 35.61 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.947 0.403 . . . . 0.0 111.326 -179.479 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.45 ' N ' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -101.37 132.18 47.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.669 179.688 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -123.49 97.45 5.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.922 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 66.16 -108.57 2.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.426 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -106.81 20.81 18.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.665 0.269 . . . . 0.0 111.133 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 1.7 mppt? -138.49 158.1 44.9 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.82 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.628 HD21 ' CE1' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -126.87 138.86 53.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.752 179.858 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.441 ' O ' ' HA ' ' A' ' 82' ' ' TRP . 0.7 OUTLIER -114.21 138.15 45.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 121.086 0.469 . . . . 0.0 111.559 -179.79 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.471 ' O ' ' HD3' ' A' ' 92' ' ' LYS . . . -124.67 148.68 16.81 Favored Glycine 0 N--CA 1.447 -0.592 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.212 179.021 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.563 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -145.26 156.25 43.72 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.067 0.461 . . . . 0.0 111.442 -178.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.817 ' HB2' HD22 ' A' ' 102' ' ' LEU . 48.2 m-85 -141.85 171.84 13.51 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.353 178.457 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.527 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -156.79 130.06 7.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.328 -0.851 . . . . 0.0 109.884 177.583 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.602 ' HG3' ' OH ' ' A' ' 119' ' ' TYR . 7.0 mmt85 -76.95 147.81 36.71 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.232 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -74.21 -22.43 59.37 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.566 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -50.0 -40.31 44.07 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.834 0.349 . . . . 0.0 111.185 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -178.12 40.71 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.594 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.471 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 51.6 64.99 3.45 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 121.089 -0.577 . . . . 0.0 112.75 -179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.54 ' HB2' ' HG3' ' A' ' 95' ' ' ARG . 32.5 m120 -78.35 140.8 38.74 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.821 -0.437 . . . . 0.0 109.821 179.358 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -78.95 127.14 31.62 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 113.035 0.754 . . . . 0.0 113.035 -177.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.828 HD13 HD21 ' A' ' 78' ' ' LEU . 0.9 OUTLIER -138.38 111.39 7.83 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 114.363 -1.29 . . . . 0.0 109.685 179.324 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.75 ' HB2' HG12 ' A' ' 118' ' ' VAL . 2.6 m-80 -107.48 152.66 23.92 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 121.214 0.53 . . . . 0.0 112.18 -178.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.535 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.79 117.93 8.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.857 179.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.24 129.69 75.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.928 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.2 mtt180 -132.25 116.5 17.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.183 -179.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.437 ' O ' HD13 ' A' ' 113' ' ' LEU . 14.7 pt-20 -111.26 154.71 24.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.457 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.047 HD13 HD11 ' A' ' 113' ' ' LEU . 7.4 mm -82.39 87.73 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.749 0.309 . . . . 0.0 111.528 -179.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.505 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.4 tp -79.67 117.8 26.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 178.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.31 -123.79 16.12 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.942 -1.123 . . . . 0.0 111.849 -178.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 27.3 p-10 -102.24 15.63 28.57 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.968 0.413 . . . . 0.0 110.372 178.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.544 ' O ' HD22 ' A' ' 113' ' ' LEU . 61.0 mt-10 -132.93 177.97 7.24 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.374 -179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.047 HD11 HD13 ' A' ' 108' ' ' ILE . 1.7 mm? -119.73 130.1 54.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.067 0.46 . . . . 0.0 111.627 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.59 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.9 p -108.87 107.39 22.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.612 178.789 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.5 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.2 mp0 -96.87 140.52 31.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.142 0.496 . . . . 0.0 112.052 -178.605 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.854 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -133.22 114.36 13.72 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.665 179.101 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.535 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 2.2 m-85 -113.06 150.82 31.51 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.369 -179.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.75 HG12 ' HB2' ' A' ' 103' ' ' ASN . 6.3 p -146.61 142.09 20.79 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.536 0 CA-C-O 120.909 0.385 . . . . 0.0 111.256 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.739 ' CG ' HD12 ' A' ' 102' ' ' LEU . 55.2 t80 -155.72 109.73 2.83 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.239 179.649 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.46 ' HG3' ' CD2' ' A' ' 119' ' ' TYR . 1.8 pt-20 28.77 90.18 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 115.68 -0.691 . . . . 0.0 112.026 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 83.23 -52.25 4.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.634 -0.793 . . . . 0.0 113.996 178.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 1.0 HG13 ' HG2' ' A' ' 16' ' ' LYS . 42.4 t -77.83 133.18 31.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 121.375 0.607 . . . . 0.0 112.562 -178.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.423 ' HG3' ' O ' ' A' ' 117' ' ' TYR . 2.1 tt0 -138.65 116.96 11.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.12 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.496 ' CB ' ' CE1' ' A' ' 17' ' ' PHE . . . -120.13 137.3 54.24 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.078 0.466 . . . . 0.0 111.822 -178.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.854 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.49 164.71 11.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.623 -0.717 . . . . 0.0 109.173 179.459 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.783 ' CD ' HG21 ' A' ' 8' ' ' VAL . 0.2 OUTLIER -154.63 119.02 4.78 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.223 -0.591 . . . . 0.0 112.571 -178.9 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.659 ' N ' HD12 ' A' ' 127' ' ' ILE . 2.4 mp -83.73 132.25 31.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 177.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.855 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 48.6 t80 -114.3 154.0 28.76 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.474 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 85.9 mttt -143.25 162.41 35.72 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 114.769 -1.105 . . . . 0.0 109.076 178.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.1 ptmt -107.57 151.1 26.05 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.107 0.479 . . . . 0.0 111.7 -179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.8 t0 . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.23 -0.89 . . . . 0.35 110.966 179.927 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' KTR . . . . . 0.419 ' C14' HG21 ' A' ' 76' ' ' THR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.872 0.367 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.68 ' CE1' HD11 ' A' ' 89' ' ' LEU . 2.8 m-85 -89.51 -54.68 3.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.913 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.2 t0 -51.13 106.24 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.734 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 176.71 -177.77 0.15 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.894 0.378 . . . . 0.0 111.389 -179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.601 HG23 ' HE3' ' A' ' 37' ' ' LYS . 98.9 m -88.85 123.31 33.1 Favored 'General case' 0 C--N 1.332 -0.172 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.864 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 10.9 m0 -117.12 126.92 53.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.648 0.737 . . . . 0.0 111.804 -178.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.504 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 28.0 pttt -120.7 116.06 24.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.887 178.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.46 HG23 ' CZ ' ' A' ' 126' ' ' ARG . 5.2 p -64.05 139.83 20.68 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.914 -178.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.468 ' HB2' ' HG2' ' A' ' 129' ' ' LYS . 0.1 OUTLIER -90.91 -52.43 4.86 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.384 179.815 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.457 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 4.9 ptt180 -145.67 171.71 14.34 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.798 179.712 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 55.5 p -144.11 166.22 25.61 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.248 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -145.09 126.29 14.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.44 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.472 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 5.4 m-20 61.61 15.81 7.16 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 121.125 0.488 . . . . 0.0 111.166 -179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.528 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.4 OUTLIER -56.95 -43.19 81.31 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.514 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -57.25 -32.77 66.91 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.902 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -51.44 -38.74 55.2 Favored 'General case' 0 CA--C 1.518 -0.271 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.539 179.117 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.875 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.2 m-85 -77.48 -23.97 50.27 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.206 -179.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.552 ' HA ' ' HB ' ' A' ' 23' ' ' VAL . 18.3 mmt -75.58 -27.87 58.73 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.63 179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -87.18 -60.4 1.99 Allowed 'General case' 0 CA--C 1.532 0.252 0 N-CA-C 112.601 0.593 . . . . 0.0 112.601 -179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.763 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.1 tptp -58.75 -47.25 85.32 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 111.672 0.249 . . . . 0.0 111.672 -179.078 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.442 ' HE2' ' O ' ' A' ' 17' ' ' PHE . 12.3 mtm -74.08 -32.44 63.26 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.672 0.272 . . . . 0.0 110.958 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.09 45.81 3.48 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.487 -0.863 . . . . 0.0 112.204 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.805 HG13 ' C13' ' A' ' 201' ' ' KTR . 14.3 t -87.44 111.05 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.813 0.34 . . . . 0.0 110.511 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.88 119.17 2.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.484 -179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.434 ' HA ' ' HB3' ' A' ' 28' ' ' ARG . 1.8 tt -42.98 -39.42 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.354 179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.9 t -47.88 -53.12 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.829 179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 mmtp -79.86 -30.27 40.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.197 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.911 ' NE ' ' HB2' ' A' ' 32' ' ' ALA . 0.0 OUTLIER -62.81 -33.46 75.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.231 179.562 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -46.17 -43.82 15.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.578 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.864 HD13 ' CB ' ' A' ' 53' ' ' SER . 2.7 mt -92.23 -12.98 31.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.128 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.794 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -92.89 -22.33 19.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.849 -179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.911 ' HB2' ' NE ' ' A' ' 28' ' ' ARG . . . -55.14 -48.27 73.92 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 112.095 0.405 . . . . 0.0 112.095 -178.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.447 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.73 -50.4 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.498 0 CA-C-O 120.827 0.346 . . . . 0.0 111.718 179.851 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -48.55 -58.24 4.98 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.678 -178.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 20.4 m-80 -106.63 46.29 0.93 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.998 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.794 HD12 ' O ' ' A' ' 31' ' ' ALA . 2.1 tt -111.5 117.14 32.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.102 0.477 . . . . 0.0 111.585 -179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.601 ' HE3' HG23 ' A' ' 5' ' ' THR . 0.4 OUTLIER -119.6 116.72 26.6 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.55 178.795 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.773 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.4 tp -105.98 134.53 48.95 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.922 -0.769 . . . . 0.0 108.922 -179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.794 ' C ' HD13 ' A' ' 40' ' ' ILE . 69.4 m -125.94 151.38 47.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.133 0.492 . . . . 0.0 112.045 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.794 HD13 ' C ' ' A' ' 39' ' ' THR . 1.8 mm -127.35 133.04 68.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.459 -0.791 . . . . 0.0 110.87 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -127.02 154.23 44.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.854 0.359 . . . . 0.0 110.771 179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -99.77 137.67 37.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.202 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -168.37 92.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.46 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 50.04 -127.12 24.12 Favored Glycine 0 CA--C 1.518 0.254 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.046 -179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -94.27 21.1 7.32 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 117.251 0.525 . . . . 0.0 109.973 178.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -131.38 167.41 19.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.82 -0.627 . . . . 0.0 111.08 -179.801 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.589 ' CE2' HD13 ' A' ' 84' ' ' LEU . 20.3 m-85 -133.44 169.57 16.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.022 -179.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.535 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.5 OUTLIER -125.22 124.16 41.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.524 179.528 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 60' ' ' VAL . 10.6 t -94.7 118.93 41.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.786 0.327 . . . . 0.0 111.025 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -118.93 112.47 19.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.412 179.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.523 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -100.07 148.9 24.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.93 0.395 . . . . 0.0 111.035 -179.783 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 5.5 m -138.01 141.69 40.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.82 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.864 ' CB ' HD13 ' A' ' 30' ' ' LEU . 48.7 m -149.4 -173.76 4.48 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.743 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.64 -13.09 18.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.501 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.72 ' HB2' HD11 ' A' ' 30' ' ' LEU . 8.4 m-85 -108.57 -26.81 10.21 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.696 0.284 . . . . 0.0 111.29 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.595 ' NH2' HD11 ' A' ' 58' ' ' ILE . 7.0 ptt-85 -164.52 -171.01 2.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.805 0.336 . . . . 0.0 111.108 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -141.93 133.48 26.81 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.03 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.595 HD11 ' NH2' ' A' ' 56' ' ' ARG . 1.5 mt -116.48 162.47 14.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.6 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' N ' HG22 ' A' ' 58' ' ' ILE . 21.1 tt0 -171.21 148.9 2.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.832 0.348 . . . . 0.0 111.037 -179.518 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.566 HG21 ' CZ ' ' A' ' 62' ' ' PHE . 8.4 p -165.65 125.18 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.464 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.535 ' HA ' ' HA ' ' A' ' 48' ' ' THR . 10.8 p -86.4 151.76 3.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.74 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 40.5 m-85 -149.69 167.23 27.02 Favored 'General case' 0 CA--C 1.516 -0.342 0 CA-C-O 121.09 0.472 . . . . 0.0 112.037 -178.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 11.3 tt0 -133.83 139.11 46.05 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.333 -0.849 . . . . 0.0 111.004 -179.466 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 15.2 mt -59.94 111.26 1.41 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.507 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 96.87 23.45 15.33 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.432 -0.89 . . . . 0.0 111.892 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.437 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 87.5 t -131.44 142.06 44.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.25 0.548 . . . . 0.0 110.397 179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.62 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -54.83 142.16 30.27 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.189 -0.914 . . . . 0.0 112.469 -178.153 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.74 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -82.49 163.16 21.76 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.12 -0.945 . . . . 0.0 108.954 178.515 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 m-80 -142.39 139.51 31.72 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.134 0.493 . . . . 0.0 111.986 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.585 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -173.76 88.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.268 179.501 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.695 ' C ' HD23 ' A' ' 72' ' ' LEU . 26.8 p-10 -149.97 134.78 17.71 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.88 0.371 . . . . 0.0 111.373 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.695 HD23 ' C ' ' A' ' 71' ' ' ASN . 0.4 OUTLIER 174.16 170.55 0.21 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.532 179.811 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -48.24 -47.96 35.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.032 0.444 . . . . 0.0 110.752 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.73 87.62 2.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.834 179.155 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . 165.19 -19.08 0.1 Allowed Glycine 0 N--CA 1.447 -0.579 0 N-CA-C 111.332 -0.707 . . . . 0.0 111.332 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 78.1 m 61.64 143.7 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.865 0 CA-C-O 120.896 0.379 . . . . 0.0 111.119 179.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -74.13 137.11 43.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.914 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.66 HD23 ' HB3' ' A' ' 93' ' ' PHE . 0.3 OUTLIER -160.86 112.73 1.89 Allowed 'General case' 0 N--CA 1.451 -0.413 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.494 179.294 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.439 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 7.9 ttp180 -124.77 121.01 33.39 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.246 -179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.62 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -144.42 -121.28 1.48 Allowed Glycine 0 C--O 1.228 -0.268 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.049 179.556 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 92' ' ' LYS . 11.2 p -158.2 174.66 14.83 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.936 0.398 . . . . 0.0 110.805 178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.5 ' HB2' ' CE1' ' A' ' 68' ' ' PHE . 6.1 t90 -147.01 127.43 14.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 179.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.57 ' O ' HD12 ' A' ' 90' ' ' ILE . 18.5 m -138.63 122.72 17.97 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.812 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.971 HD21 HD23 ' A' ' 89' ' ' LEU . 0.2 OUTLIER -100.68 131.42 46.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.759 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -123.12 94.45 4.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.777 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 68.47 -104.2 1.17 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.398 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 22.8 m120 -109.08 21.48 17.12 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.601 0.239 . . . . 0.0 111.24 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.3 mppt? -133.89 137.07 44.73 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.852 0.358 . . . . 0.0 111.183 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.971 HD23 HD21 ' A' ' 84' ' ' LEU . 0.0 OUTLIER -116.85 125.59 51.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.558 179.836 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.57 HD12 ' O ' ' A' ' 83' ' ' SER . 1.9 mp -115.41 101.25 12.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.044 0.45 . . . . 0.0 111.522 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.512 ' N ' ' HG1' ' A' ' 104' ' ' THR . . . -98.4 162.7 20.74 Favored Glycine 0 N--CA 1.449 -0.476 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.926 179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.525 ' HG3' ' HA ' ' A' ' 103' ' ' ASN . 0.0 OUTLIER -152.29 157.47 41.43 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.012 0.434 . . . . 0.0 111.384 -179.213 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.66 ' HB3' HD23 ' A' ' 78' ' ' LEU . 39.5 m-85 -143.49 172.02 13.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.979 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.1 OUTLIER -151.68 131.09 12.91 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.405 -0.816 . . . . 0.0 109.755 177.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.433 ' HG3' ' CE2' ' A' ' 119' ' ' TYR . 17.1 mtp180 -72.86 128.4 35.39 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.869 -179.367 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -59.32 -20.07 51.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.332 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -47.39 -27.09 1.52 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.992 0.425 . . . . 0.0 110.999 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 179.17 -35.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.234 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.497 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 133.27 62.02 0.08 OUTLIER Glycine 0 N--CA 1.445 -0.741 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.718 179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.541 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.2 m-80 -78.25 143.18 37.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 110.319 179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.431 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 0.3 OUTLIER -78.34 129.47 35.03 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.757 0.789 . . . . 0.0 112.544 -178.433 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.798 HD22 ' HB2' ' A' ' 119' ' ' TYR . 1.7 tm? -134.36 118.84 17.92 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 113.794 -1.548 . . . . 0.0 108.865 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.784 ' HB2' HG12 ' A' ' 118' ' ' VAL . 1.2 m120 -113.7 147.47 38.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.129 0.49 . . . . 0.0 112.199 -178.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.544 ' HB ' ' CE2' ' A' ' 117' ' ' TYR . 0.8 OUTLIER -147.02 117.34 7.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.68 178.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 23.7 t -121.36 120.72 62.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.77 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.754 ' HB3' HD21 ' A' ' 113' ' ' LEU . 90.1 mtt180 -115.94 127.16 54.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.223 -179.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -131.2 146.18 52.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.667 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.748 HD13 HD12 ' A' ' 113' ' ' LEU . 7.2 mm -83.78 84.18 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.191 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.507 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.6 tp -79.69 119.28 28.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 178.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 50.81 -123.87 18.17 Favored Glycine 0 N--CA 1.449 -0.471 0 C-N-CA 119.734 -1.222 . . . . 0.0 111.541 -178.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -100.62 11.22 39.95 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-O 120.977 0.418 . . . . 0.0 110.275 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.466 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 26.9 mt-10 -128.16 177.16 7.11 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.735 -179.472 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.754 HD21 ' HB3' ' A' ' 106' ' ' ARG . 0.8 OUTLIER -119.64 129.9 54.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.14 179.396 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 114' ' ' VAL . 6.7 p -103.36 108.03 23.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.588 178.784 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.8 mt-30 -107.17 119.26 38.91 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.106 0.479 . . . . 0.0 112.029 -178.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.889 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -117.04 117.65 30.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.023 179.165 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.544 ' CE2' ' HB ' ' A' ' 104' ' ' THR . 1.8 m-85 -113.52 156.51 23.45 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.236 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.784 HG12 ' HB2' ' A' ' 103' ' ' ASN . 15.0 p -151.31 136.48 10.65 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 120.831 0.348 . . . . 0.0 111.012 178.166 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.798 ' HB2' HD22 ' A' ' 102' ' ' LEU . 5.6 t80 -152.43 120.04 6.05 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.362 . . . . 0.0 110.774 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' C ' ' O ' ' A' ' 119' ' ' TYR . 1.2 mm-40 24.54 88.55 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 115.595 -0.729 . . . . 0.0 112.083 -179.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 70.44 -4.34 9.25 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.876 -0.678 . . . . 0.0 114.041 179.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.902 HG13 ' HG2' ' A' ' 16' ' ' LYS . 16.1 t -107.49 144.55 16.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 117.113 0.456 . . . . 0.0 111.559 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.498 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.1 tt0 -155.6 113.92 3.44 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.069 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.465 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.42 139.0 53.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.164 0.507 . . . . 0.0 111.759 -179.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.889 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -107.63 161.07 15.2 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 108.679 -0.86 . . . . 0.0 108.679 178.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.513 ' HB3' ' HB2' ' A' ' 115' ' ' GLN . 11.0 ttt-85 -158.01 114.57 2.85 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 119.898 -0.721 . . . . 0.0 112.81 -178.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.457 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 5.1 mm -81.33 149.38 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.295 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 177.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.864 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 43.9 t80 -131.07 154.44 48.24 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.468 ' HG2' ' HB2' ' A' ' 9' ' ' ASP . 3.8 pttp -144.0 157.59 44.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 114.919 -1.037 . . . . 0.0 109.184 177.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.2 pttm -107.84 151.16 26.11 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.215 0.531 . . . . 0.0 111.834 -179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 7.1 t0 . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.221 -0.895 . . . . 0.35 110.968 -179.979 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' KTR . . . . . 0.805 ' C13' HG13 ' A' ' 23' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.753 0.311 . . . . 0.0 111.018 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.563 ' CZ ' HD11 ' A' ' 108' ' ' ILE . 5.0 m-85 -88.23 -46.84 8.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.003 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -58.13 111.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.533 179.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.83 -172.62 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.811 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.496 HG22 ' HE2' ' A' ' 37' ' ' LYS . 56.3 m -89.28 120.14 30.38 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 178.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.85 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.4 m0 -116.92 125.07 50.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.364 0.602 . . . . 0.0 111.26 -178.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 129' ' ' LYS . 4.1 ptmt -120.99 115.44 23.18 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.839 179.297 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.799 HG21 ' HD2' ' A' ' 126' ' ' ARG . 1.1 p -60.95 129.71 24.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 115.22 -0.9 . . . . 0.0 111.3 -179.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.433 ' HB2' ' CB ' ' A' ' 129' ' ' LYS . 0.8 OUTLIER -84.92 -63.74 1.28 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.828 -179.768 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.539 ' HG3' HD13 ' A' ' 127' ' ' ILE . 6.6 ptt180 -128.1 169.64 13.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.885 0.374 . . . . 0.0 110.927 179.795 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 89.6 p -144.07 166.0 26.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.136 -179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -150.57 131.38 14.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.652 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.495 ' HB2' ' HA ' ' A' ' 124' ' ' ALA . 0.7 OUTLIER 62.12 13.03 5.44 Favored 'General case' 0 C--O 1.237 0.429 0 CA-C-O 121.257 0.551 . . . . 0.0 111.253 -179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.489 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -55.7 -46.61 77.61 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 178.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.443 ' O ' ' HB2' ' A' ' 18' ' ' MET . 8.4 t0 -54.67 -31.71 58.17 Favored 'General case' 0 C--N 1.334 -0.101 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.849 178.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.92 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -52.46 -40.75 62.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.586 -0.733 . . . . 0.0 110.223 179.203 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.789 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.0 m-85 -74.12 -24.55 59.46 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.709 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.672 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -71.05 -31.74 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.378 179.283 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -86.8 -60.55 1.95 Allowed 'General case' 0 C--N 1.331 -0.198 0 N-CA-C 113.234 0.828 . . . . 0.0 113.234 -178.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.764 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.5 tptp -56.88 -47.5 80.35 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.429 ' HE1' ' HB3' ' A' ' 17' ' ' PHE . 4.1 mtp -81.92 -28.76 32.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.715 0.293 . . . . 0.0 111.189 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.83 56.48 1.96 Allowed Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.51 -0.852 . . . . 0.0 112.339 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.672 ' HB ' ' HG3' ' A' ' 18' ' ' MET . 4.0 t -97.67 99.37 8.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.413 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -50.19 178.61 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 121.492 0.663 . . . . 0.0 112.219 -178.695 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.485 ' O ' ' N ' ' A' ' 29' ' ' LYS . 1.5 tt -86.52 -32.18 6.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 114.991 -1.004 . . . . 0.0 111.242 -179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.471 ' HA ' ' HD2' ' A' ' 29' ' ' LYS . 21.7 t -44.26 -56.83 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.865 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.489 ' NZ ' HD13 ' A' ' 72' ' ' LEU . 22.3 mmtp -86.53 -29.09 22.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.876 0.369 . . . . 0.0 111.051 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.561 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.3 tmm_? -73.49 -20.14 60.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.85 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' A' ' 25' ' ' ILE . 3.3 mttt -44.03 -48.65 8.83 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.88 0.371 . . . . 0.0 111.473 -179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.914 HD13 ' CB ' ' A' ' 53' ' ' SER . 0.4 OUTLIER -101.41 -31.87 10.71 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.659 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.639 ' O ' HD12 ' A' ' 36' ' ' LEU . . . -70.46 -13.79 62.27 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.514 179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.451 ' O ' ' CB ' ' A' ' 33' ' ' HIS . . . -55.07 -47.0 75.48 Favored 'General case' 0 C--N 1.332 -0.178 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -178.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.451 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 0.0 OUTLIER 164.37 -50.81 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 120.825 0.345 . . . . 0.0 111.464 179.916 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.93 -55.13 29.87 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.793 -178.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -108.42 44.74 1.08 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.881 0.372 . . . . 0.0 111.279 -179.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.639 HD12 ' O ' ' A' ' 31' ' ' ALA . 8.5 tt -103.82 118.64 37.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.496 ' HE2' HG22 ' A' ' 5' ' ' THR . 0.5 OUTLIER -116.52 116.64 28.02 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-O 121.323 0.583 . . . . 0.0 110.068 179.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.843 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 1.2 tp -106.77 112.02 24.8 Favored 'General case' 0 C--N 1.314 -0.95 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.039 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 49' ' ' VAL . 4.4 m -99.43 142.01 31.47 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.012 0.434 . . . . 0.0 111.817 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.444 HG13 ' CE2' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -121.38 133.99 66.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.471 179.587 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 88.7 m -140.42 153.59 46.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.366 . . . . 0.0 111.268 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 9.5 tp60 -88.35 121.27 30.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.644 179.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.48 ' OE1' HG23 ' A' ' 48' ' ' THR . 5.2 tt0 -140.23 41.38 1.93 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.298 0.57 . . . . 0.0 111.107 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 82.08 -125.23 6.83 Favored Glycine 0 C--N 1.314 -0.666 0 CA-C-N 115.389 -0.823 . . . . 0.0 112.399 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -78.88 1.27 24.08 Favored 'General case' 0 C--N 1.333 -0.129 0 CA-C-N 117.212 0.506 . . . . 0.0 110.812 179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.772 ' CE ' HG21 ' A' ' 61' ' ' VAL . 0.2 OUTLIER -130.28 155.64 45.98 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.405 0.621 . . . . 0.0 111.625 -179.777 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.76 ' HE2' HD21 ' A' ' 64' ' ' LEU . 43.5 m-85 -111.4 133.8 53.44 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.045 -0.979 . . . . 0.0 111.673 -178.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.48 HG23 ' OE1' ' A' ' 43' ' ' GLU . 0.2 OUTLIER -87.94 119.88 28.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.413 179.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.694 HG22 ' CE1' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -108.63 124.97 65.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 121.027 0.442 . . . . 0.0 111.046 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 tttt -122.55 116.07 23.26 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.604 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.441 ' CB ' ' HB ' ' A' ' 58' ' ' ILE . 1.1 tt0 -86.23 117.55 25.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.823 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.401 ' CB ' ' HG2' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -105.73 144.79 31.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.034 -179.929 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.914 ' CB ' HD13 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -149.86 -171.07 3.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.862 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.668 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -74.93 -59.51 2.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.977 179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -115.5 -26.83 7.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.253 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.58 149.81 21.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.973 -179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.4 t30 -141.89 136.75 30.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 2.4 mp -139.7 160.82 27.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.685 179.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.436 ' N ' HG22 ' A' ' 58' ' ' ILE . 63.3 tt0 -154.21 162.17 41.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.946 0.403 . . . . 0.0 111.197 -179.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.658 HG13 HG23 ' A' ' 49' ' ' VAL . 12.4 p -178.36 165.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.791 -179.802 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.772 HG21 ' CE ' ' A' ' 46' ' ' LYS . 12.3 p -136.97 146.48 28.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.46 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.694 ' CE1' HG22 ' A' ' 49' ' ' VAL . 0.0 OUTLIER -136.92 130.03 31.01 Favored 'General case' 0 CA--C 1.517 -0.321 0 CA-C-O 121.466 0.651 . . . . 0.0 111.214 179.036 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.568 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -106.24 138.73 41.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 114.98 -1.009 . . . . 0.0 111.065 -179.052 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.76 HD21 ' HE2' ' A' ' 47' ' ' PHE . 18.3 mt -60.47 102.0 0.16 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.326 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.19 15.29 18.23 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.915 -0.66 . . . . 0.0 112.121 -179.106 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.427 HG23 ' OE1' ' A' ' 63' ' ' GLU . 39.9 t -132.78 144.41 36.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.157 0.504 . . . . 0.0 110.633 179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.617 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.1 m -57.51 154.62 10.82 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.422 -0.808 . . . . 0.0 112.021 -178.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.624 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.9 OUTLIER -102.3 158.02 16.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.276 179.165 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -130.28 118.32 21.15 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.967 0.413 . . . . 0.0 111.912 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.415 ' CE1' ' O1 ' ' A' ' 201' ' ' KTR . 0.2 OUTLIER -139.19 48.56 1.86 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.302 179.066 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 44.3 p-10 -84.15 127.05 33.67 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.031 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.714 HD12 ' H9 ' ' A' ' 201' ' ' KTR . 98.0 mt -154.33 105.85 2.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.775 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -54.39 -28.22 41.98 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.223 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -59.35 -31.33 69.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.93 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -130.5 -74.22 0.13 Allowed Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 7.8 t -158.98 -168.34 2.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.011 0.434 . . . . 0.0 111.182 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.5 tt0 -146.92 118.91 8.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.37 179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.756 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -120.26 137.07 54.44 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.18 0.514 . . . . 0.0 111.446 -179.599 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.515 ' O ' ' N ' ' A' ' 94' ' ' LYS . 25.5 ttp85 -110.92 123.86 50.97 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.124 179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.617 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -147.61 -157.03 7.26 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 119.271 -1.442 . . . . 0.0 114.55 -179.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.478 ' O ' ' HA2' ' A' ' 91' ' ' GLY . 1.9 p -151.62 138.77 19.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.317 -0.441 . . . . 0.0 109.873 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.458 ' CZ3' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -111.05 142.23 43.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.406 -179.853 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -153.77 144.59 22.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.622 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.577 HD12 ' CE2' ' A' ' 47' ' ' PHE . 0.1 OUTLIER -110.59 127.58 55.29 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.084 0.469 . . . . 0.0 110.681 179.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -113.55 93.97 4.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.235 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 69.13 -101.66 0.84 Allowed Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.49 -0.862 . . . . 0.0 111.962 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 m-80 -115.06 21.47 14.21 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.607 0.241 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.3 mtmt -125.08 147.25 49.08 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-O 121.019 0.438 . . . . 0.0 111.592 -179.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.763 ' C ' HD13 ' A' ' 90' ' ' ILE . 2.6 mm? -107.52 127.74 53.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.424 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.763 HD13 ' C ' ' A' ' 89' ' ' LEU . 0.0 OUTLIER -129.26 137.22 57.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 121.463 0.649 . . . . 0.0 112.466 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.478 ' HA2' ' O ' ' A' ' 81' ' ' THR . . . -142.4 153.12 24.26 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.383 -1.087 . . . . 0.0 110.383 178.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.588 ' O ' ' CA ' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -146.75 117.31 7.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 117.618 0.709 . . . . 0.0 111.081 -179.298 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.624 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 96.7 m-85 -101.54 173.02 6.62 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 121.61 0.719 . . . . 0.0 112.283 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.75 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 2.4 mttt -158.05 131.59 7.73 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.355 178.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.41 ' HD3' ' OH ' ' A' ' 119' ' ' TYR . 2.1 mtp180 -73.63 141.74 46.52 Favored 'General case' 0 CA--C 1.517 -0.313 0 CA-C-O 121.183 0.516 . . . . 0.0 111.006 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -73.08 -17.05 61.46 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.141 -0.936 . . . . 0.0 110.547 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -47.86 -57.92 5.04 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.219 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.7 m120 -155.55 24.54 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.434 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.539 ' C ' ' HE2' ' A' ' 94' ' ' LYS . . . 71.53 82.82 0.25 Allowed Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.131 -179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.75 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 32.1 m120 -112.91 109.77 19.42 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.862 0.363 . . . . 0.0 110.267 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.633 ' HA ' ' HG2' ' A' ' 94' ' ' LYS . 0.9 OUTLIER -60.0 142.95 53.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.771 0.796 . . . . 0.0 111.918 -178.168 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.756 HD13 ' CD2' ' A' ' 78' ' ' LEU . 6.1 tt -143.77 126.4 16.01 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 114.265 -1.334 . . . . 0.0 109.693 -179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.787 ' HB2' HG12 ' A' ' 118' ' ' VAL . 1.8 m-80 -109.73 150.97 27.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.015 0.436 . . . . 0.0 111.378 -178.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.455 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.6 p -146.27 117.33 7.78 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.681 -0.691 . . . . 0.0 111.052 179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 9.4 t -129.39 114.49 31.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.926 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' CG ' ' HB2' ' A' ' 89' ' ' LEU . 14.2 ptt180 -130.47 116.52 18.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.859 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -111.23 158.56 18.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.881 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.8 HD13 ' CD1' ' A' ' 113' ' ' LEU . 8.3 mm -76.01 82.07 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.467 HG23 ' O ' ' A' ' 109' ' ' ILE . 7.1 tp -76.24 121.05 27.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 179.234 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 52.8 -124.89 28.56 Favored Glycine 0 N--CA 1.447 -0.592 0 C-N-CA 119.8 -1.191 . . . . 0.0 111.704 -178.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -102.37 16.81 25.14 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.804 0.335 . . . . 0.0 110.497 178.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 14.3 mt-10 -138.42 178.37 7.19 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.922 -179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.8 ' CD1' HD13 ' A' ' 108' ' ' ILE . 2.0 tp -113.84 129.77 56.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.027 0.441 . . . . 0.0 110.949 179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.574 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.9 p -108.43 108.06 24.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.785 -0.643 . . . . 0.0 109.68 179.047 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.492 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 1.0 OUTLIER -100.93 140.85 34.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.26 0.553 . . . . 0.0 112.291 -178.409 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.826 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.7 111.45 8.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.297 -0.865 . . . . 0.0 109.504 178.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.1 m-85 -111.41 157.56 20.1 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.303 -179.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.787 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.5 p -149.63 135.36 11.4 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.362 0 CA-C-O 120.669 0.271 . . . . 0.0 111.088 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.665 ' CD1' HD12 ' A' ' 102' ' ' LEU . 39.9 t80 -145.86 116.69 7.72 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.58 -179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.4 OUTLIER 22.25 89.04 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.565 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.199 -179.646 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.19 -6.51 14.26 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 120.736 -0.745 . . . . 0.0 113.88 179.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.92 HG13 ' HG2' ' A' ' 16' ' ' LYS . 19.1 t -107.39 145.7 14.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.947 0.373 . . . . 0.0 111.219 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.492 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 5.1 tt0 -156.12 115.8 3.59 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.268 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -120.69 135.63 55.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.146 0.498 . . . . 0.0 111.653 -179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.826 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.88 135.88 49.34 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 108.899 -0.778 . . . . 0.0 108.899 179.182 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.799 ' HD2' HG21 ' A' ' 8' ' ' VAL . 3.1 ttp180 -131.27 115.53 16.42 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.566 0.58 . . . . 0.0 112.566 -178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 127' ' ' ILE . 2.8 mp -82.59 134.66 26.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 177.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.85 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 35.7 t80 -107.65 148.83 28.84 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 -178.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.518 ' O ' ' O ' ' A' ' 7' ' ' LYS . 13.3 tmtt? -142.15 158.73 43.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 CA-C-N 114.858 -1.065 . . . . 0.0 108.863 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.2 mtpp -107.97 148.91 29.05 Favored 'General case' 0 C--N 1.315 -0.923 0 CA-C-O 121.327 0.584 . . . . 0.0 112.078 -179.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 3.4 t70 . . . . . 0 C--O 1.249 1.027 0 CA-C-N 115.156 -0.929 . . . . 0.35 111.011 179.932 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' KTR . . . . . 0.714 ' H9 ' HD12 ' A' ' 72' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.781 0.324 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.504 ' CE1' ' CH2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -75.47 -51.93 11.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.778 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -55.41 104.94 0.14 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.176 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.71 -175.95 0.11 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.967 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' C ' ' HD1' ' A' ' 6' ' ' TRP . 91.3 m -88.66 115.91 26.53 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.851 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 16.0 m0 -115.63 126.48 54.22 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.507 0.67 . . . . 0.0 111.74 -178.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.511 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.1 ttpt -118.54 121.73 40.94 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.467 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.525 HG23 ' NE ' ' A' ' 126' ' ' ARG . 5.8 p -65.33 135.23 28.65 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.143 -179.72 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 16.0 t70 -93.61 -71.83 0.64 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.15 -179.62 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.544 ' HG3' ' CG1' ' A' ' 127' ' ' ILE . 3.9 ptp180 -118.86 165.8 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.63 179.822 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 82.5 p -140.91 156.82 46.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.294 -179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -136.24 123.99 22.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.413 179.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.486 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 0.7 OUTLIER 62.57 14.12 6.82 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.187 0.518 . . . . 0.0 111.229 -179.81 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.471 ' CZ ' ' O ' ' A' ' 31' ' ' ALA . 0.3 OUTLIER -56.61 -49.82 73.81 Favored 'General case' 0 N--CA 1.452 -0.34 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 179.101 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 18' ' ' MET . 1.2 m-20 -49.98 -33.33 17.48 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.788 178.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.865 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.3 OUTLIER -52.33 -41.4 62.96 Favored 'General case' 0 CA--C 1.515 -0.398 0 CA-C-N 115.254 -0.885 . . . . 0.0 110.532 179.335 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.873 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.3 m-85 -72.23 -25.19 61.54 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.179 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.68 ' HA ' HG22 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -69.94 -30.08 67.37 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.03 179.126 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -86.28 -60.66 1.94 Allowed 'General case' 0 CA--C 1.531 0.227 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 -178.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.766 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.1 tptp -56.6 -47.41 79.65 Favored 'General case' 0 C--N 1.332 -0.156 0 C-N-CA 121.112 -0.235 . . . . 0.0 111.327 -179.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.448 ' HB2' ' O ' ' A' ' 17' ' ' PHE . 5.9 mtm -65.25 -40.07 93.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.911 0.386 . . . . 0.0 110.201 179.337 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.24 55.02 2.02 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.448 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.68 HG22 ' HA ' ' A' ' 18' ' ' MET . 16.4 m -96.37 156.6 3.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.741 0.305 . . . . 0.0 110.714 179.739 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.503 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 0.8 OUTLIER -81.17 -173.36 4.27 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.814 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 1.4 tp -88.91 -38.9 12.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.305 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.6 t -51.32 -45.91 33.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.504 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.1 -33.62 29.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.992 0.425 . . . . 0.0 110.3 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.533 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 0.3 OUTLIER -65.12 -33.33 75.77 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.764 -0.653 . . . . 0.0 110.818 179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.5 mtpp -54.57 -42.46 71.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.285 -179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.829 HD13 ' CB ' ' A' ' 53' ' ' SER . 1.4 mt -101.67 -14.75 17.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.142 -179.76 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.471 ' O ' ' CZ ' ' A' ' 14' ' ' TYR . . . -93.74 -16.14 24.5 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.484 ' O ' ' HB3' ' A' ' 33' ' ' HIS . . . -59.21 -49.35 78.2 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.199 0.444 . . . . 0.0 112.199 -178.843 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.484 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 13.6 p80 160.0 -44.61 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.514 0 CA-C-O 120.963 0.411 . . . . 0.0 111.367 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.21 -57.76 8.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.866 -178.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 17.4 m-80 -111.32 66.73 0.63 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.793 0.33 . . . . 0.0 111.318 -179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.408 ' HB3' ' CG1' ' A' ' 8' ' ' VAL . 37.3 tp -128.57 126.58 40.59 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.115 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.458 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.0 OUTLIER -118.21 117.34 28.87 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.451 0.643 . . . . 0.0 109.887 179.504 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.849 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 0.4 OUTLIER -108.21 113.0 25.78 Favored 'General case' 0 C--N 1.317 -0.844 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.312 -179.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 32.4 m -105.8 153.86 21.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.147 0.499 . . . . 0.0 112.043 -178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.473 HD12 ' CE2' ' A' ' 6' ' ' TRP . 50.5 mt -131.89 137.41 54.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.59 179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 1.4 m -131.14 162.47 29.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.81 0.338 . . . . 0.0 110.945 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 4.3 tt0 -110.49 128.79 55.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.237 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -159.12 89.84 0.95 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.402 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.84 -134.23 43.74 Favored Glycine 0 CA--C 1.518 0.268 0 C-N-CA 120.573 -0.822 . . . . 0.0 111.832 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -82.83 7.16 15.99 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 117.267 0.534 . . . . 0.0 110.771 179.017 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.6 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.1 OUTLIER -123.29 152.12 41.72 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.503 0.668 . . . . 0.0 111.904 -179.475 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.7 ' HE2' HD21 ' A' ' 64' ' ' LEU . 40.9 m-85 -112.1 166.97 10.78 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.057 -0.974 . . . . 0.0 110.441 179.101 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.438 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 0.2 OUTLIER -124.5 119.34 28.84 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.046 179.219 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.4 t -95.9 119.74 44.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.953 0.406 . . . . 0.0 111.664 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 9.2 mtmm -117.3 111.48 19.44 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 3.1 mt-10 -104.32 127.28 51.95 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.948 0.404 . . . . 0.0 111.281 -179.485 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -117.3 150.91 38.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.805 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.829 ' CB ' HD13 ' A' ' 30' ' ' LEU . 5.0 m -149.51 -170.96 3.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.803 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.665 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -57.82 -74.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.137 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -122.48 15.06 10.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.405 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -114.4 162.89 16.06 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.849 0.357 . . . . 0.0 110.958 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -134.27 134.05 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.911 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.465 HG21 ' OH ' ' A' ' 70' ' ' TYR . 3.9 mt -148.69 151.67 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.607 ' O ' HG13 ' A' ' 60' ' ' VAL . 0.0 OUTLIER -179.55 154.57 0.62 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.778 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.718 HG23 ' CE2' ' A' ' 62' ' ' PHE . 3.6 m -161.52 106.07 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 N-CA-C 112.139 0.422 . . . . 0.0 112.139 -179.803 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 47' ' ' PHE . 6.1 p -63.68 152.06 8.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 178.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.718 ' CE2' HG23 ' A' ' 60' ' ' VAL . 33.2 m-85 -147.29 165.35 30.37 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 112.575 0.583 . . . . 0.0 112.575 -178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.6 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 6.3 tt0 -139.05 150.87 46.27 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.717 -179.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.7 HD21 ' HE2' ' A' ' 47' ' ' PHE . 28.6 mt -69.84 104.29 2.44 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.689 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 102.67 25.3 7.73 Favored Glycine 0 N--CA 1.449 -0.457 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.939 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.438 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 64.2 t -131.73 145.81 34.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.216 0.531 . . . . 0.0 110.606 179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.698 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.6 m -56.54 162.22 2.32 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.285 -0.87 . . . . 0.0 112.394 -178.401 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.638 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.1 OUTLIER -101.86 159.99 14.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.454 179.447 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -144.21 146.31 32.61 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.98 0.419 . . . . 0.0 111.726 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.465 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -166.86 56.05 0.08 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.723 179.263 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -71.38 132.14 44.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.014 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.543 HD13 ' H ' ' A' ' 73' ' ' ALA . 0.1 OUTLIER 179.64 138.9 0.11 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.871 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.543 ' H ' HD13 ' A' ' 72' ' ' LEU . . . -58.13 -70.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.973 179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -69.22 70.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.54 179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.41 ' O ' ' HB ' ' A' ' 76' ' ' THR . . . 155.23 -21.73 0.57 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.225 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.648 HG22 ' NH1' ' A' ' 95' ' ' ARG . 99.0 m 63.27 141.72 0.02 OUTLIER 'General case' 0 N--CA 1.442 -0.851 0 CA-C-O 121.173 0.511 . . . . 0.0 111.052 179.112 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 2.2 pt-20 -62.22 138.11 58.36 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.592 -0.731 . . . . 0.0 112.522 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.749 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -134.68 126.9 30.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.241 -0.89 . . . . 0.0 109.163 178.692 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.564 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 16.2 mtt180 -134.55 126.74 29.92 Favored 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -178.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.698 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -143.75 -114.31 0.97 Allowed Glycine 0 C--O 1.226 -0.402 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.86 178.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.441 HG23 ' O ' ' A' ' 80' ' ' GLY . 15.3 p -158.74 174.92 14.29 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 117.438 0.619 . . . . 0.0 111.461 178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.597 ' CD1' ' CZ ' ' A' ' 68' ' ' PHE . 0.0 OUTLIER -147.91 135.67 20.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.534 -0.757 . . . . 0.0 109.51 179.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.9 m -152.81 149.34 28.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.996 0.427 . . . . 0.0 111.63 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.794 ' HG ' HD12 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -116.57 134.34 54.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.388 179.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.7 94.51 3.3 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.195 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 63.93 -107.49 1.8 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.626 179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -107.72 20.51 18.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.632 0.253 . . . . 0.0 111.457 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.807 ' C ' HD13 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -138.66 132.74 31.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.829 0.347 . . . . 0.0 110.718 179.681 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.807 HD13 ' C ' ' A' ' 88' ' ' LYS . 0.0 OUTLIER -114.29 142.93 45.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.672 -179.703 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.9 mp -128.04 137.02 58.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 121.336 0.589 . . . . 0.0 112.093 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.498 ' HA3' ' CD1' ' A' ' 82' ' ' TRP . . . -135.87 157.59 23.43 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.12 -0.946 . . . . 0.0 111.11 179.11 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.464 ' O ' ' HA3' ' A' ' 80' ' ' GLY . 0.0 OUTLIER -155.57 159.31 39.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 117.256 0.528 . . . . 0.0 111.846 -179.37 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.857 ' HB2' HD22 ' A' ' 102' ' ' LEU . 92.5 m-85 -134.39 173.59 11.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.611 -0.722 . . . . 0.0 109.899 178.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.569 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -151.79 137.38 17.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.539 178.32 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.648 ' NH1' HG22 ' A' ' 76' ' ' THR . 0.0 OUTLIER -81.58 150.1 28.31 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.144 0.497 . . . . 0.0 111.222 -179.954 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -24.63 48.91 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.423 -179.794 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -49.44 -37.03 24.28 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.14 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.8 t30 -178.48 38.61 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.605 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.462 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 50.61 63.66 4.27 Favored Glycine 0 N--CA 1.449 -0.462 0 C-N-CA 121.085 -0.579 . . . . 0.0 112.742 -179.723 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.569 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 5.5 m-80 -76.42 138.74 40.56 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 179.138 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -73.98 135.3 43.17 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.515 0.674 . . . . 0.0 112.551 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.857 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.6 tt -143.88 110.61 5.61 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 114.809 -1.087 . . . . 0.0 109.741 179.326 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.766 ' HB2' HG12 ' A' ' 118' ' ' VAL . 2.0 m120 -105.91 153.25 22.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.161 0.505 . . . . 0.0 111.817 -178.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.511 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -145.65 116.72 7.83 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.404 -0.816 . . . . 0.0 110.554 179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -108.12 120.15 58.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.803 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.561 ' O ' HD22 ' A' ' 89' ' ' LEU . 37.6 mtt180 -115.75 116.21 27.65 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.974 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.798 ' O ' HD13 ' A' ' 113' ' ' LEU . 1.1 mp0 -114.64 135.67 53.9 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.409 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.047 HD13 HD21 ' A' ' 113' ' ' LEU . 6.6 mm -82.13 98.03 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.576 179.804 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.883 HG23 ' O ' ' A' ' 109' ' ' ILE . 4.9 tp -90.84 55.7 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.925 0.869 . . . . 0.0 110.218 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 86.55 -127.13 8.21 Favored Glycine 0 N--CA 1.432 -1.582 0 C-N-CA 120.145 -1.026 . . . . 0.0 111.153 -178.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 37.4 m-20 -79.17 -9.64 59.61 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-O 120.595 0.236 . . . . 0.0 110.563 178.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.519 ' CD ' ' N ' ' A' ' 112' ' ' GLU . 1.6 mp0 -111.69 165.5 11.98 Favored 'General case' 0 N--CA 1.456 -0.175 0 CA-C-O 120.794 0.331 . . . . 0.0 110.849 -179.496 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.047 HD21 HD13 ' A' ' 108' ' ' ILE . 0.1 OUTLIER -121.43 128.93 52.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.108 179.39 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.401 HG13 ' OE1' ' A' ' 107' ' ' GLU . 2.1 p -106.27 107.66 23.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 178.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.512 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 0.9 OUTLIER -105.69 140.66 38.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.285 0.564 . . . . 0.0 112.432 -178.296 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.838 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -133.81 112.45 11.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.22 178.872 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.511 ' CD2' ' HB ' ' A' ' 104' ' ' THR . 1.4 m-85 -110.03 156.34 20.65 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.333 -179.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.766 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.1 p -150.54 134.74 8.79 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 CA-C-O 120.719 0.295 . . . . 0.0 111.174 178.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.711 ' CD1' HD12 ' A' ' 102' ' ' LEU . 33.2 t80 -147.75 115.54 6.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.757 0.313 . . . . 0.0 110.564 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' C ' ' O ' ' A' ' 119' ' ' TYR . 0.6 OUTLIER 24.95 89.29 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 115.652 -0.704 . . . . 0.0 112.253 -179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 73.94 -8.02 13.25 Favored Glycine 0 CA--C 1.519 0.304 0 C-N-CA 120.746 -0.74 . . . . 0.0 113.89 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.873 HG12 ' CE1' ' A' ' 17' ' ' PHE . 15.2 t -107.3 143.98 16.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.972 0.386 . . . . 0.0 111.51 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.477 ' HA ' ' O ' ' A' ' 117' ' ' TYR . 3.1 tt0 -154.6 115.7 4.03 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.164 179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.485 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -121.26 142.95 49.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.109 0.48 . . . . 0.0 111.802 -179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.838 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.3 OUTLIER -108.06 164.54 12.2 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.9 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.525 ' NE ' HG23 ' A' ' 8' ' ' VAL . 1.6 ttt180 -161.5 122.78 2.81 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 -178.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.544 ' CG1' ' HG3' ' A' ' 10' ' ' ARG . 3.3 mm -91.79 140.98 15.19 Favored 'Isoleucine or valine' 0 C--O 1.233 0.231 0 N-CA-C 108.69 -0.856 . . . . 0.0 108.69 177.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.851 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 32.7 t80 -118.93 153.66 34.24 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 -177.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.465 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 0.7 OUTLIER -143.84 159.28 42.81 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 114.659 -1.155 . . . . 0.0 108.849 177.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 1.2 mtpp -108.45 151.85 25.5 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.115 0.483 . . . . 0.0 111.895 -179.29 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 8.9 t70 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.239 -0.886 . . . . 0.35 110.991 179.913 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' KTR . . . . . 0.53 ' C6 ' ' CE1' ' A' ' 93' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.895 0.379 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -89.43 -45.74 9.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.952 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -57.45 111.07 0.99 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.732 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.66 179.57 0.08 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.949 0.404 . . . . 0.0 111.02 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 98.8 m -88.67 124.0 33.66 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 108.9 -0.778 . . . . 0.0 108.9 178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.882 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 12.3 m0 -115.51 127.05 55.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 111.952 -178.241 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.526 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 0.1 OUTLIER -118.9 117.04 27.78 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 114.911 -1.041 . . . . 0.0 109.628 177.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.654 HG23 ' HD3' ' A' ' 126' ' ' ARG . 3.6 p -68.57 141.22 17.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 115.348 -0.842 . . . . 0.0 111.606 -178.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.496 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 8.9 t70 -98.23 -75.12 0.56 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.098 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.524 ' CG ' HG12 ' A' ' 127' ' ' ILE . 0.6 OUTLIER -117.11 164.18 15.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.889 0.376 . . . . 0.0 111.002 -179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.509 ' HB3' ' HB3' ' A' ' 33' ' ' HIS . 53.2 p -141.29 164.17 30.98 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.947 -179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -147.29 127.38 13.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.431 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 6.7 m-20 62.12 15.2 7.21 Favored 'General case' 0 N--CA 1.452 -0.356 0 CA-C-O 121.105 0.479 . . . . 0.0 111.061 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.494 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -55.35 -41.01 71.93 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 108.93 -0.766 . . . . 0.0 108.93 179.132 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -58.51 -35.3 72.05 Favored 'General case' 0 C--N 1.331 -0.202 0 N-CA-C 109.26 -0.645 . . . . 0.0 109.26 177.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.928 ' CG ' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -47.49 -40.32 18.19 Favored 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.55 179.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.832 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.4 m-85 -76.77 -25.61 53.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.02 -179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.521 ' HG3' ' CD ' ' A' ' 28' ' ' ARG . 13.7 mmt -74.28 -29.75 61.8 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.535 179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -87.2 -60.89 1.85 Allowed 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.732 ' CB ' HG21 ' A' ' 122' ' ' VAL . 0.7 OUTLIER -53.42 -47.32 69.72 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.806 0.299 . . . . 0.0 111.806 -178.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.1 mtp -79.47 -27.27 41.57 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.715 0.293 . . . . 0.0 111.198 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 86.4 44.43 5.88 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.531 -0.842 . . . . 0.0 111.97 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.505 ' HB ' ' HA ' ' A' ' 18' ' ' MET . 8.7 t -80.2 126.14 39.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 120.764 0.316 . . . . 0.0 110.503 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.6 117.41 3.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.163 0.506 . . . . 0.0 111.45 -179.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.809 HD13 ' O ' ' A' ' 25' ' ' ILE . 0.1 OUTLIER -49.04 -36.84 8.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.187 179.684 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 21.5 t -49.4 -59.18 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.751 179.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.19 -29.71 61.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.063 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.521 ' CD ' ' HG3' ' A' ' 18' ' ' MET . 0.0 OUTLIER -60.67 -31.34 70.59 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.161 179.478 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.638 ' HE2' HD12 ' A' ' 25' ' ' ILE . 2.4 mttm -54.32 -49.53 69.5 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.478 179.818 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.84 HD11 ' CB ' ' A' ' 55' ' ' PHE . 0.4 OUTLIER -77.41 -20.83 54.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.178 -179.527 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.77 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -93.03 -13.73 28.28 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.664 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 28' ' ' ARG . . . -54.75 -48.22 72.87 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 112.254 0.464 . . . . 0.0 112.254 -178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.509 ' HB3' ' HB3' ' A' ' 11' ' ' SER . 4.1 p-80 162.85 -40.38 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 112.045 0.387 . . . . 0.0 112.045 179.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -63.77 -53.1 56.24 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 62.6 m-20 -109.6 42.21 1.53 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.788 0.328 . . . . 0.0 111.243 -179.25 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.77 HD23 ' HA ' ' A' ' 31' ' ' ALA . 3.4 tm? -111.82 118.83 36.63 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.071 0.462 . . . . 0.0 111.234 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.443 ' O ' ' HA ' ' A' ' 51' ' ' GLU . 0.3 OUTLIER -121.72 115.96 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.764 179.353 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.77 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 3.1 tp -105.37 125.76 51.34 Favored 'General case' 0 C--N 1.319 -0.72 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.691 ' O ' HD13 ' A' ' 40' ' ' ILE . 1.8 m -113.25 152.37 29.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.908 0.385 . . . . 0.0 111.803 -178.032 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.691 HD13 ' O ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -137.14 142.24 37.98 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.103 -179.909 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.704 HG23 ' OG1' ' A' ' 48' ' ' THR . 0.3 OUTLIER -149.45 152.73 36.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.229 179.056 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -91.79 129.87 37.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.041 0.448 . . . . 0.0 111.961 -178.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -156.97 88.23 1.03 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.083 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 56.37 -143.34 38.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.621 -179.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -78.09 0.43 24.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 117.176 0.488 . . . . 0.0 110.604 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.807 ' HE2' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -109.73 147.97 32.24 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-O 121.404 0.621 . . . . 0.0 111.559 -179.58 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.881 ' CE2' HD21 ' A' ' 64' ' ' LEU . 27.0 m-85 -111.33 142.83 43.05 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.092 -0.958 . . . . 0.0 110.011 179.303 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.704 ' OG1' HG23 ' A' ' 41' ' ' THR . 0.0 OUTLIER -106.11 119.54 39.47 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.92 0.39 . . . . 0.0 110.007 179.253 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 39' ' ' THR . 0.8 OUTLIER -114.14 126.59 71.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.101 -179.695 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.9 112.47 19.69 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.902 -179.826 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 56.7 tt0 -90.96 117.42 29.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.443 179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 1.9 m -101.62 140.13 36.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.241 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.589 ' HB2' HD13 ' A' ' 30' ' ' LEU . 84.8 p -149.21 161.44 41.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.74 179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.598 ' H ' HD22 ' A' ' 30' ' ' LEU . . . -91.91 15.73 12.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.561 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.84 ' CB ' HD11 ' A' ' 30' ' ' LEU . 2.4 t80 -119.02 -26.96 5.84 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.677 0.275 . . . . 0.0 111.339 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -176.8 -168.88 0.24 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.828 0.347 . . . . 0.0 110.936 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 3.6 m120 -100.24 146.34 27.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.419 ' HB ' ' HB3' ' A' ' 51' ' ' GLU . 18.2 mt -150.59 144.92 17.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.061 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 177.65 175.46 0.46 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.004 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.518 HG22 ' N ' ' A' ' 61' ' ' VAL . 14.1 p -178.85 161.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.388 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.807 HG22 ' HE2' ' A' ' 46' ' ' LYS . 2.6 t -92.41 146.78 5.91 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.144 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.549 ' CZ ' ' CE2' ' A' ' 68' ' ' PHE . 0.3 OUTLIER -124.54 145.77 49.38 Favored 'General case' 0 CA--C 1.516 -0.364 0 CA-C-N 116.098 -0.501 . . . . 0.0 109.814 179.332 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -150.62 131.63 14.31 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.072 0.463 . . . . 0.0 111.173 -179.015 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.881 HD21 ' CE2' ' A' ' 47' ' ' PHE . 8.5 mt -72.12 105.47 3.97 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.754 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 105.92 16.85 14.16 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.836 -0.697 . . . . 0.0 112.315 -179.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 67' ' ' THR . 22.1 t -129.42 158.55 42.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.034 0.445 . . . . 0.0 110.369 179.574 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 1.7 m -84.35 145.49 28.2 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.631 -178.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.593 ' CD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.1 OUTLIER -82.28 151.71 26.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.55 -0.75 . . . . 0.0 109.427 179.202 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -122.3 118.69 29.11 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.005 0.431 . . . . 0.0 111.946 -179.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -143.26 33.26 1.33 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.33 179.069 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 77' ' ' GLU . 13.1 p-10 -86.95 86.77 7.34 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.965 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.0 mt -153.07 118.46 5.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -53.27 -25.26 13.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.233 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.38 -28.52 70.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.004 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.81 -71.88 0.18 Allowed Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.546 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.432 ' CG2' ' C12' ' A' ' 201' ' ' KTR . 6.3 t -160.86 -161.64 0.86 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 0.0 111.0 -179.525 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 71' ' ' ASN . 10.7 tp10 -149.43 71.13 1.1 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.751 179.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.827 HD21 HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -115.17 139.35 49.99 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.05 0.453 . . . . 0.0 111.015 -179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 94' ' ' LYS . 0.0 OUTLIER -124.38 122.12 36.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.861 179.744 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.636 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -141.08 -153.37 5.94 Favored Glycine 0 C--O 1.225 -0.466 0 C-N-CA 119.63 -1.271 . . . . 0.0 114.185 -178.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 p -155.47 136.08 13.4 Favored 'General case' 0 C--N 1.332 -0.193 0 C-N-CA 122.427 0.291 . . . . 0.0 110.571 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.797 ' CZ3' HD13 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -111.61 127.6 55.79 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.113 179.633 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -135.94 149.2 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.675 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.496 ' HA ' ' HA ' ' A' ' 89' ' ' LEU . 0.2 OUTLIER -118.06 128.52 54.83 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.146 0.498 . . . . 0.0 111.384 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -122.62 103.72 8.87 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.386 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 75.93 -108.03 2.46 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.322 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -115.02 20.83 14.77 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.553 0.216 . . . . 0.0 111.344 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 5.6 pttp -139.81 158.48 44.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.868 0.366 . . . . 0.0 111.201 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.797 HD13 ' CZ3' ' A' ' 82' ' ' TRP . 2.0 pp -127.83 144.85 51.08 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.741 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.674 HG22 ' HE3' ' A' ' 92' ' ' LYS . 1.1 mp -128.07 124.21 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 121.165 0.507 . . . . 0.0 112.3 -179.57 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.467 ' HA3' ' CD1' ' A' ' 82' ' ' TRP . . . -116.09 150.34 18.64 Favored Glycine 0 N--CA 1.448 -0.55 0 CA-C-N 115.411 -0.813 . . . . 0.0 111.156 178.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.674 ' HE3' HG22 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -152.71 124.66 7.95 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.925 0.363 . . . . 0.0 110.471 -179.586 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.733 ' HB2' HD22 ' A' ' 102' ' ' LEU . 87.2 m-85 -100.22 172.26 7.28 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 121.454 0.645 . . . . 0.0 111.926 -179.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.615 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -149.1 123.97 9.95 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 114.818 -1.083 . . . . 0.0 109.786 179.168 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.499 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 1.3 mtp85 -74.09 140.79 45.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.199 0.524 . . . . 0.0 111.387 -179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -75.37 -21.4 58.33 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.359 -0.837 . . . . 0.0 110.976 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -51.26 -49.44 61.18 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.222 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 21.8 m-20 -155.63 29.85 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.93 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.87 51.13 57.35 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.592 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.615 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 93.0 m-20 -75.23 142.1 43.45 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 110.091 -0.337 . . . . 0.0 110.091 179.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.409 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 0.6 OUTLIER -82.52 136.09 34.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.45 0.643 . . . . 0.0 112.288 -178.608 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.827 HD13 HD21 ' A' ' 78' ' ' LEU . 1.0 OUTLIER -137.11 113.14 9.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 114.62 -1.173 . . . . 0.0 109.965 179.604 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.777 ' HB2' HG12 ' A' ' 118' ' ' VAL . 5.0 m-20 -104.7 149.15 25.83 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-O 121.273 0.559 . . . . 0.0 112.064 -178.512 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.522 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -146.33 117.63 7.9 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.333 -0.849 . . . . 0.0 110.478 178.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 30.6 t -112.94 128.89 69.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.175 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.669 ' HD3' HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -120.36 115.48 23.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.829 179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.549 ' O ' HD13 ' A' ' 113' ' ' LEU . 3.3 pt-20 -127.76 148.41 50.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.563 179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.988 HD13 HD11 ' A' ' 113' ' ' LEU . 7.5 mm -85.92 93.16 3.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.422 -0.353 . . . . 0.0 111.645 -179.61 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.516 ' O ' ' CG2' ' A' ' 109' ' ' ILE . 3.1 tp -84.75 115.7 27.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 178.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 53.09 -126.33 33.15 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 119.829 -1.177 . . . . 0.0 111.714 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -100.22 13.52 33.97 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.924 0.392 . . . . 0.0 110.359 178.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.518 ' O ' HD22 ' A' ' 113' ' ' LEU . 17.5 mt-10 -132.85 178.56 6.77 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.283 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.988 HD11 HD13 ' A' ' 108' ' ' ILE . 0.9 OUTLIER -119.05 130.02 55.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.055 0.455 . . . . 0.0 111.847 -179.786 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.403 ' O ' HG13 ' A' ' 114' ' ' VAL . 7.9 p -104.41 122.84 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.129 178.388 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.538 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 0.5 OUTLIER -112.65 138.77 48.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.338 0.589 . . . . 0.0 112.397 -178.082 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.581 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.3 OUTLIER -138.24 110.82 7.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.495 179.044 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.564 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 6.7 m-85 -111.57 157.42 20.41 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.194 -179.662 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.777 HG12 ' HB2' ' A' ' 103' ' ' ASN . 7.2 p -151.31 141.16 15.61 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.347 0 CA-C-O 120.704 0.288 . . . . 0.0 111.24 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.781 ' CG ' HD12 ' A' ' 102' ' ' LEU . 65.6 t80 -155.55 108.39 2.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.729 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.482 ' HG3' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 28.1 89.02 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.402 -179.262 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 79.92 -31.58 2.26 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.235 -0.983 . . . . 0.0 112.784 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.928 HG13 ' CG ' ' A' ' 16' ' ' LYS . 12.3 t -83.06 146.61 6.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.156 0.503 . . . . 0.0 111.985 -179.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.515 ' HA ' ' HA ' ' A' ' 118' ' ' VAL . 3.8 tt0 -162.07 115.58 1.81 Allowed 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 115.577 -0.738 . . . . 0.0 109.453 178.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.495 ' HA ' ' HB2' ' A' ' 13' ' ' ASN . . . -118.87 135.8 54.37 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.169 0.509 . . . . 0.0 111.475 -178.786 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.581 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -106.83 158.16 17.2 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.047 -1.094 . . . . 0.0 108.047 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.654 ' HD3' HG23 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -162.78 122.85 2.32 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 119.558 -0.857 . . . . 0.0 113.051 -178.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.524 HG12 ' CG ' ' A' ' 10' ' ' ARG . 2.2 mm -89.95 143.37 11.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 N-CA-C 108.207 -1.035 . . . . 0.0 108.207 177.453 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.882 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 13.7 t80 -130.63 155.39 46.64 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.36 0.874 . . . . 0.0 113.36 -177.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.496 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 0.0 OUTLIER -143.59 161.98 37.08 Favored 'General case' 0 CA--C 1.519 -0.217 0 CA-C-N 114.927 -1.033 . . . . 0.0 109.203 177.532 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 14.2 mttm -109.06 151.55 26.22 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.125 0.488 . . . . 0.0 111.738 -179.432 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 6.8 t0 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.274 -0.87 . . . . 0.35 110.963 179.886 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' KTR . . . . . 0.551 ' H5 ' ' HE1' ' A' ' 93' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.794 0.33 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.634 ' CE1' HD23 ' A' ' 89' ' ' LEU . 0.7 OUTLIER -71.4 -54.99 8.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.883 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -52.74 104.38 0.09 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.808 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.03 -178.62 0.17 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.17 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.489 HG23 ' CE ' ' A' ' 37' ' ' LYS . 96.0 m -88.88 116.76 27.39 Favored 'General case' 0 C--N 1.331 -0.234 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 178.768 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.871 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 15.7 m0 -113.73 130.71 56.39 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.488 0.661 . . . . 0.0 111.736 -178.372 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.524 ' N ' ' HE1' ' A' ' 128' ' ' PHE . 2.4 pttt -117.84 123.96 47.17 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.358 178.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.763 HG23 ' HD3' ' A' ' 126' ' ' ARG . 1.8 p -72.81 131.27 35.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.569 -0.741 . . . . 0.0 111.114 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.439 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.1 t70 -88.31 -61.39 1.72 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.125 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.501 ' HG3' HG12 ' A' ' 127' ' ' ILE . 0.1 OUTLIER -137.96 160.25 39.84 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.878 -179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.734 ' HG ' ' HD2' ' A' ' 14' ' ' TYR . 0.1 OUTLIER -142.78 137.52 29.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.183 0.516 . . . . 0.0 111.101 179.376 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HG3' ' CB ' ' A' ' 125' ' ' LYS . 3.8 pt-20 -117.38 127.23 53.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.447 179.163 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.484 ' O ' ' CB ' ' A' ' 16' ' ' LYS . 3.6 m-20 68.1 8.57 6.61 Favored 'General case' 0 N--CA 1.449 -0.514 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.943 -178.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.734 ' HD2' ' HG ' ' A' ' 11' ' ' SER . 0.7 OUTLIER -56.18 -45.88 79.57 Favored 'General case' 0 N--CA 1.455 -0.208 0 N-CA-C 108.43 -0.952 . . . . 0.0 108.43 178.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -56.24 -36.11 68.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.247 0.546 . . . . 0.0 109.727 177.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.948 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -47.96 -39.53 19.62 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.745 179.077 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.892 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.8 m-85 -73.6 -35.67 65.41 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.839 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.727 ' HE3' HG21 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -71.15 -21.78 62.14 Favored 'General case' 0 N--CA 1.442 -0.859 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 176.865 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.519 ' CG ' ' N ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -85.8 -59.86 2.18 Favored 'General case' 0 N--CA 1.438 -1.037 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.992 -178.085 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.82 ' CB ' HG21 ' A' ' 122' ' ' VAL . 2.0 tptp -64.2 -38.9 92.69 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.735 0.302 . . . . 0.0 111.123 -179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.55 ' SD ' HD11 ' A' ' 102' ' ' LEU . 4.6 mtp -85.01 -17.63 36.95 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.071 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 67.97 58.78 7.08 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.28 -0.962 . . . . 0.0 111.237 -179.325 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.727 HG21 ' HE3' ' A' ' 18' ' ' MET . 73.0 t -81.65 130.95 34.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 120.838 0.352 . . . . 0.0 110.915 -179.212 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.506 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 29.1 t30 -43.67 162.28 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.179 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.372 -179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.504 HG23 ' N ' ' A' ' 26' ' ' VAL . 4.0 tp -86.93 -45.86 16.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.744 -0.662 . . . . 0.0 112.227 -179.049 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.504 ' N ' HG23 ' A' ' 25' ' ' ILE . 17.4 t -51.3 -49.32 31.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.8 mtpm? -76.8 -32.22 57.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.002 0.43 . . . . 0.0 110.586 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.532 ' CG ' ' HG2' ' A' ' 18' ' ' MET . 1.2 tmm_? -73.69 -21.51 60.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.227 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.421 ' HB3' HD23 ' A' ' 30' ' ' LEU . 1.7 tptp -44.54 -58.47 2.98 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.762 -179.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.734 HD12 ' HB2' ' A' ' 53' ' ' SER . 0.3 OUTLIER -94.37 -31.72 13.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.134 0.492 . . . . 0.0 110.484 -179.67 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.817 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -69.14 -14.0 62.74 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.037 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.502 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -54.84 -45.97 74.57 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 112.745 0.646 . . . . 0.0 112.745 -178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.463 ' CB ' ' O ' ' A' ' 32' ' ' ALA . 2.2 p-80 163.54 -37.37 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -67.09 -50.99 59.79 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 112.66 0.615 . . . . 0.0 112.66 -178.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.458 HD22 HD22 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -121.93 79.77 1.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.926 0.393 . . . . 0.0 111.69 -178.9 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.817 HD13 ' HA ' ' A' ' 31' ' ' ALA . 14.2 tp -135.18 141.01 45.79 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.81 179.468 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.489 ' CE ' HG23 ' A' ' 5' ' ' THR . 0.6 OUTLIER -128.22 118.58 23.57 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.046 179.631 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.714 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 2.1 tp -104.86 134.48 47.91 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.472 -0.785 . . . . 0.0 109.189 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.599 ' O ' HG12 ' A' ' 49' ' ' VAL . 87.6 m -123.65 161.11 25.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.006 0.431 . . . . 0.0 111.688 -178.308 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.602 HG21 ' HB3' ' A' ' 2' ' ' PHE . 46.5 mt -138.81 146.24 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.022 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 3.1 m -136.82 163.8 29.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.983 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -119.47 124.53 46.72 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.042 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -159.02 92.37 1.09 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.579 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 60.17 -139.74 48.22 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.448 -0.882 . . . . 0.0 111.897 -179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -82.92 5.56 21.5 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 117.004 0.402 . . . . 0.0 110.79 179.253 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.765 ' HE2' HG22 ' A' ' 61' ' ' VAL . 0.0 OUTLIER -122.3 144.52 48.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.2 0.524 . . . . 0.0 111.514 -179.69 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.419 ' CE2' ' CD1' ' A' ' 84' ' ' LEU . 5.5 m-30 -111.57 165.92 11.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.807 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.815 HG23 HG23 ' A' ' 61' ' ' VAL . 0.7 OUTLIER -125.29 119.65 29.01 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.442 179.206 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.636 HG23 ' O ' ' A' ' 60' ' ' VAL . 0.1 OUTLIER -104.71 118.96 52.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.958 0.408 . . . . 0.0 110.937 179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.412 ' H ' ' HB ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -107.98 119.31 39.11 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.885 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.452 ' HA ' ' O ' ' A' ' 37' ' ' LYS . 7.0 mt-10 -107.36 117.82 35.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.848 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.405 ' O ' ' CB ' ' A' ' 37' ' ' LYS . 0.3 OUTLIER -132.55 143.22 49.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.926 0.394 . . . . 0.0 111.279 -179.799 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.734 ' HB2' HD12 ' A' ' 30' ' ' LEU . 48.8 m -149.85 146.94 27.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.722 179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . 38.05 -93.69 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.865 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -122.96 -27.05 4.29 Favored 'General case' 0 CA--C 1.529 0.165 0 CA-C-O 120.672 0.272 . . . . 0.0 111.301 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -57.43 173.2 0.28 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.895 0.379 . . . . 0.0 111.191 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 21.3 p-10 -141.67 131.38 24.17 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.408 ' HB ' ' CB ' ' A' ' 51' ' ' GLU . 7.3 mt -142.86 152.98 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.9 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 72.8 tt0 -173.02 163.19 4.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.796 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.636 ' O ' HG23 ' A' ' 49' ' ' VAL . 7.2 p -172.94 97.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.742 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.815 HG23 HG23 ' A' ' 48' ' ' THR . 1.9 p -60.04 155.31 3.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 109.64 -0.504 . . . . 0.0 109.64 179.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.649 ' CD2' ' CE1' ' A' ' 68' ' ' PHE . 17.3 m-85 -153.55 164.99 37.28 Favored 'General case' 0 CA--C 1.521 -0.17 0 C-N-CA 120.296 -0.561 . . . . 0.0 112.359 -178.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.592 ' HA ' ' HA ' ' A' ' 46' ' ' LYS . 36.9 tt0 -127.72 152.49 47.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.028 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.434 ' CD1' ' HB2' ' A' ' 84' ' ' LEU . 33.4 mt -77.37 105.58 8.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.43 179.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 101.57 22.98 9.78 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.564 -0.827 . . . . 0.0 111.912 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.422 ' CG2' ' HB3' ' A' ' 63' ' ' GLU . 54.9 t -130.08 139.56 51.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 121.259 0.552 . . . . 0.0 110.446 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.632 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -50.21 145.53 5.95 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.264 -0.88 . . . . 0.0 112.512 -178.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.649 ' CE1' ' CD2' ' A' ' 62' ' ' PHE . 0.0 OUTLIER -83.02 160.62 21.93 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 114.955 -1.021 . . . . 0.0 109.104 178.836 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -142.64 140.54 31.65 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.166 0.508 . . . . 0.0 111.847 -179.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.455 ' CE1' ' C15' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -170.79 41.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.19 179.326 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -51.86 156.32 1.51 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.417 -179.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -179.62 83.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.551 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -49.99 -27.06 4.88 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.458 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.24 27.04 9.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.12 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -135.36 -77.26 0.09 OUTLIER Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.569 -0.824 . . . . 0.0 112.471 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.454 HG23 ' N ' ' A' ' 77' ' ' GLU . 14.1 t -161.37 -44.81 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.733 0.301 . . . . 0.0 111.597 -179.456 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.454 ' N ' HG23 ' A' ' 76' ' ' THR . 1.3 tt0 66.26 109.55 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.482 -179.346 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.846 HD21 HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -135.67 124.93 24.62 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.857 -179.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.539 ' O ' ' CB ' ' A' ' 94' ' ' LYS . 3.9 mtt85 -133.0 121.39 22.68 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.254 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.632 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.02 -111.14 0.84 Allowed Glycine 0 C--N 1.332 0.34 0 C-N-CA 120.582 -0.818 . . . . 0.0 112.345 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.453 ' HA ' ' HA ' ' A' ' 67' ' ' THR . 9.9 p -158.35 175.62 13.49 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-O 121.02 0.438 . . . . 0.0 111.255 178.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.575 ' CZ2' HD13 ' A' ' 89' ' ' LEU . 2.3 t90 -155.91 127.67 7.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.304 179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.58 149.49 33.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.097 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' HB2' ' CD1' ' A' ' 64' ' ' LEU . 0.0 OUTLIER -104.5 133.64 49.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.732 179.73 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -124.45 94.42 4.2 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.056 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 65.06 -109.6 2.98 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.345 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 12.9 p-10 -102.93 20.87 16.67 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.741 0.305 . . . . 0.0 111.032 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.21 156.79 48.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.695 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.815 HD11 ' NE ' ' A' ' 106' ' ' ARG . 4.1 pp -129.57 123.09 30.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.916 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.656 HD12 HG13 ' A' ' 105' ' ' VAL . 1.9 mm -100.67 137.48 28.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 121.259 0.552 . . . . 0.0 111.668 -179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.428 ' O ' ' N ' ' A' ' 104' ' ' THR . . . -136.73 152.5 21.3 Favored Glycine 0 N--CA 1.445 -0.728 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.092 179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.63 157.79 41.48 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.043 0.449 . . . . 0.0 111.23 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.885 ' HB2' HD22 ' A' ' 102' ' ' LEU . 34.1 m-85 -136.29 173.27 11.89 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.666 179.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.638 ' HA ' ' O ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -148.19 132.45 17.45 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.335 -0.848 . . . . 0.0 109.994 177.895 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.429 ' HG3' ' CE1' ' A' ' 119' ' ' TYR . 14.7 mtp180 -79.25 151.96 30.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.178 0.513 . . . . 0.0 111.327 -179.6 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.76 -23.8 49.14 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.212 -0.904 . . . . 0.0 111.22 -179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -47.63 -36.25 10.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.93 0.395 . . . . 0.0 111.085 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 178.97 39.53 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.497 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . 0.504 ' HA2' ' HG2' ' A' ' 94' ' ' LYS . . . 49.34 65.68 2.63 Favored Glycine 0 N--CA 1.45 -0.399 0 CA-C-N 115.954 -0.566 . . . . 0.0 112.587 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.638 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 54.2 m-80 -83.43 135.33 34.72 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.88 0.372 . . . . 0.0 110.169 179.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 119' ' ' TYR . 28.5 mt-10 -69.99 136.13 50.11 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.312 0.577 . . . . 0.0 112.027 -178.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.885 HD22 ' HB2' ' A' ' 93' ' ' PHE . 1.1 tt -142.6 111.22 6.23 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.014 -0.994 . . . . 0.0 109.829 179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.786 ' HB2' HG12 ' A' ' 118' ' ' VAL . 3.2 m120 -104.32 150.45 24.45 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.322 0.582 . . . . 0.0 112.24 -178.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.51 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.0 OUTLIER -146.32 117.06 7.63 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.248 178.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . 0.656 HG13 HD12 ' A' ' 90' ' ' ILE . 22.0 t -119.49 125.3 74.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.385 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.815 ' NE ' HD11 ' A' ' 89' ' ' LEU . 36.0 mtt180 -107.73 115.64 30.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.657 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -114.45 143.29 45.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.801 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 0.85 HD13 HD12 ' A' ' 113' ' ' LEU . 9.2 mm -88.86 94.43 4.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.835 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.838 HG23 ' O ' ' A' ' 109' ' ' ILE . 6.0 tp -86.26 58.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.824 0.821 . . . . 0.0 110.519 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 85.39 -129.42 9.28 Favored Glycine 0 N--CA 1.435 -1.425 0 C-N-CA 120.137 -1.03 . . . . 0.0 111.733 -179.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 5.4 t0 -75.96 -4.67 42.39 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.546 0.212 . . . . 0.0 110.83 179.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.43 ' HB3' ' O ' ' A' ' 128' ' ' PHE . 42.2 mt-10 -124.83 173.97 8.25 Favored 'General case' 0 CA--C 1.522 -0.125 0 CA-C-O 120.995 0.426 . . . . 0.0 111.144 -179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.85 HD12 HD13 ' A' ' 108' ' ' ILE . 0.8 OUTLIER -121.11 130.07 53.58 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.076 179.282 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.551 HG13 ' O ' ' A' ' 114' ' ' VAL . 7.3 p -105.25 107.33 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 178.557 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.487 ' HB3' ' CE1' ' A' ' 117' ' ' TYR . 0.9 OUTLIER -95.55 140.6 30.16 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.204 -178.405 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.749 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -138.13 109.64 7.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.382 -0.826 . . . . 0.0 109.766 179.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.55 ' HB2' ' CE2' ' A' ' 17' ' ' PHE . 4.9 m-85 -109.51 159.84 16.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.173 -179.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.786 HG12 ' HB2' ' A' ' 103' ' ' ASN . 12.3 p -151.52 139.74 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-O 120.652 0.263 . . . . 0.0 110.904 178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.79 ' CD1' HD12 ' A' ' 102' ' ' LEU . 39.7 t80 -155.03 114.43 3.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.844 0.354 . . . . 0.0 110.615 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.44 ' CG ' ' HB3' ' A' ' 100' ' ' ASN . 0.6 OUTLIER 26.08 89.63 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.674 -0.694 . . . . 0.0 112.339 -179.414 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 72.85 -6.54 12.33 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.576 -0.821 . . . . 0.0 113.737 179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.948 HG13 ' HG2' ' A' ' 16' ' ' LYS . 13.2 t -107.79 143.8 17.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.925 0.393 . . . . 0.0 111.667 -179.068 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.467 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 2.0 tt0 -155.37 114.17 3.54 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 115.918 -0.583 . . . . 0.0 109.715 179.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.419 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -120.22 142.15 49.28 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.785 -178.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.749 ' HG3' HG23 ' A' ' 116' ' ' THR . 0.0 OUTLIER -108.81 164.61 12.24 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.759 -0.83 . . . . 0.0 108.759 178.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.763 ' HD3' HG23 ' A' ' 8' ' ' VAL . 0.5 OUTLIER -159.43 124.57 4.12 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 119.917 -0.713 . . . . 0.0 112.812 -178.612 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.501 HG12 ' HG3' ' A' ' 10' ' ' ARG . 5.0 mm -85.39 148.69 4.62 Favored 'Isoleucine or valine' 0 C--O 1.234 0.241 0 N-CA-C 108.795 -0.817 . . . . 0.0 108.795 177.733 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.871 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 50.2 t80 -130.18 153.9 48.07 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -178.371 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.439 ' CG ' ' HB2' ' A' ' 9' ' ' ASP . 32.1 mmtm -143.49 157.91 44.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 114.661 -1.154 . . . . 0.0 109.058 177.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 4.8 ptmm? -108.07 151.15 26.25 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.05 0.453 . . . . 0.0 111.664 -179.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.206 -0.902 . . . . 0.35 110.923 -179.97 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' KTR . . . . . 0.715 ' O2 ' HD21 ' A' ' 102' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.856 0.36 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.434 ' CE2' HD11 ' A' ' 84' ' ' LEU . 2.1 m-85 -89.43 -49.61 6.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.88 107.24 0.33 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.957 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 172.97 178.89 0.09 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.963 0.411 . . . . 0.0 111.346 -179.727 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.793 HG22 ' HE2' ' A' ' 37' ' ' LYS . 77.6 m -88.64 125.0 34.62 Favored 'General case' 0 CA--C 1.52 -0.178 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.459 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.853 ' HB3' ' CE1' ' A' ' 128' ' ' PHE . 19.4 m0 -116.73 127.84 54.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.664 0.745 . . . . 0.0 112.895 -177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HB3' ' HE3' ' A' ' 37' ' ' LYS . 1.6 pttt -116.65 122.55 44.9 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.915 -1.039 . . . . 0.0 110.198 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.712 HG23 ' HD3' ' A' ' 126' ' ' ARG . 8.5 p -67.02 130.82 32.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 115.257 -0.883 . . . . 0.0 110.943 -179.446 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.427 ' HB2' ' CG ' ' A' ' 129' ' ' LYS . 20.0 t70 -89.78 -80.18 0.32 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.154 -179.254 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.582 ' HG3' HG12 ' A' ' 127' ' ' ILE . 8.3 ptt180 -113.75 156.21 24.23 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.044 0.45 . . . . 0.0 110.755 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.0 p -130.23 144.3 51.28 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.878 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -137.01 132.4 34.23 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.376 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.54 ' O ' ' HB2' ' A' ' 124' ' ' ALA . 0.9 OUTLIER 62.49 11.87 4.98 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.464 0.65 . . . . 0.0 111.002 -179.461 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TYR . . . . . 0.501 ' CE1' ' H2 ' ' A' ' 201' ' ' KTR . 0.3 OUTLIER -58.93 -47.63 84.38 Favored 'General case' 0 N--CA 1.45 -0.45 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 178.547 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' A' ' 18' ' ' MET . 5.1 m-20 -54.2 -26.8 30.23 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.648 -0.705 . . . . 0.0 109.726 177.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.946 ' HG2' HG13 ' A' ' 122' ' ' VAL . 0.1 OUTLIER -55.7 -44.34 77.31 Favored 'General case' 0 CA--C 1.516 -0.333 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.306 179.159 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.778 ' CE1' HG12 ' A' ' 122' ' ' VAL . 2.3 m-30 -70.65 -25.11 62.86 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.961 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.643 ' HG3' ' HB ' ' A' ' 23' ' ' VAL . 0.0 OUTLIER -67.4 -30.77 70.62 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.34 178.91 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -88.79 -60.02 2.07 Favored 'General case' 0 CA--C 1.532 0.261 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -179.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.529 ' CG ' HG23 ' A' ' 122' ' ' VAL . 0.6 OUTLIER -50.33 -47.99 55.61 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.786 0.327 . . . . 0.0 111.455 -179.046 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.724 ' SD ' HG22 ' A' ' 23' ' ' VAL . 0.8 OUTLIER -87.47 -27.66 22.55 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.067 -179.678 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 85.61 54.47 2.79 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.084 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.724 HG22 ' SD ' ' A' ' 21' ' ' MET . 6.6 t -87.52 122.05 38.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.753 0.311 . . . . 0.0 110.504 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.41 ' O ' ' HB2' ' A' ' 28' ' ' ARG . 4.5 m-80 -63.17 178.86 0.46 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.274 0.559 . . . . 0.0 111.516 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.463 ' O ' ' N ' ' A' ' 29' ' ' LYS . 2.0 tt -90.76 -31.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.412 -0.813 . . . . 0.0 111.054 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 20.6 t -50.7 -51.04 21.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.405 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.5 tptm -85.62 -31.48 22.57 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.804 179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.573 ' HG3' ' CG ' ' A' ' 18' ' ' MET . 2.5 tmm_? -74.75 -20.85 59.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.774 -179.68 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 25' ' ' ILE . 5.5 mttm -47.21 -46.09 23.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 0.0 111.518 -179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.862 HD21 ' HB2' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -99.79 -35.13 9.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.008 0.432 . . . . 0.0 110.434 179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.806 ' HA ' HD13 ' A' ' 36' ' ' LEU . . . -68.75 -15.08 63.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.791 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.433 ' O ' ' CD2' ' A' ' 14' ' ' TYR . . . -56.1 -47.78 77.4 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 111.872 0.323 . . . . 0.0 111.872 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 32' ' ' ALA . 10.5 p80 164.24 -48.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-O 120.88 0.371 . . . . 0.0 111.628 179.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -53.47 -55.82 22.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.916 -178.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -111.9 68.94 0.68 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.921 0.391 . . . . 0.0 111.305 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.806 HD13 ' HA ' ' A' ' 31' ' ' ALA . 25.2 tp -134.27 120.06 19.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.073 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.793 ' HE2' HG22 ' A' ' 5' ' ' THR . 1.1 tmtp? -116.49 115.96 26.76 Favored 'General case' 0 CA--C 1.515 -0.377 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.961 179.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.815 ' O ' ' HB2' ' A' ' 6' ' ' TRP . 5.6 tp -108.15 123.33 48.57 Favored 'General case' 0 C--N 1.317 -0.83 0 N-CA-C 108.555 -0.906 . . . . 0.0 108.555 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.483 ' HB ' ' H ' ' A' ' 50' ' ' LYS . 43.5 m -118.48 153.6 33.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.172 0.511 . . . . 0.0 112.251 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.737 HD12 ' CE2' ' A' ' 6' ' ' TRP . 41.5 mt -131.81 119.8 42.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.857 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.448 HG22 ' H ' ' A' ' 42' ' ' GLN . 0.2 OUTLIER -111.33 176.09 5.16 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.818 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.448 ' H ' HG22 ' A' ' 41' ' ' THR . 0.7 OUTLIER -113.7 123.55 50.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.454 -179.494 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -154.37 88.92 1.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.539 179.478 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 53.52 -138.14 37.43 Favored Glycine 0 CA--C 1.519 0.286 0 C-N-CA 120.615 -0.802 . . . . 0.0 111.971 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -77.8 1.12 21.25 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 117.104 0.452 . . . . 0.0 110.833 179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.574 ' HA ' ' HA ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -113.68 149.21 35.02 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-O 121.323 0.582 . . . . 0.0 111.677 -179.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' PHE . 20.9 m-85 -109.03 132.72 53.84 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.488 179.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -91.36 128.54 37.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.695 0.283 . . . . 0.0 110.538 179.64 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.923 HG21 ' CE2' ' A' ' 62' ' ' PHE . 10.2 t -106.92 124.96 62.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 121.125 0.488 . . . . 0.0 111.668 -179.599 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.483 ' H ' ' HB ' ' A' ' 39' ' ' THR . 11.1 ttmt -117.86 112.24 20.11 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.225 179.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.583 ' OE2' HD12 ' A' ' 36' ' ' LEU . 0.0 OUTLIER -98.48 142.76 29.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.907 0.384 . . . . 0.0 111.116 -179.584 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.4 m -129.86 143.88 51.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.859 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.818 ' HB3' HD22 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -147.28 -178.52 6.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.795 -179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -103.89 -16.71 15.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.587 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.862 ' HB2' HD21 ' A' ' 30' ' ' LEU . 12.1 m-85 -111.09 -26.68 9.1 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.664 0.269 . . . . 0.0 111.306 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.18 -166.85 2.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.825 0.345 . . . . 0.0 111.047 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . . . . . . . . . 13.7 m-20 -135.37 159.23 42.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.546 HG21 ' OH ' ' A' ' 70' ' ' TYR . 1.7 mt -150.11 162.33 3.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.781 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -175.71 169.98 2.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.361 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.612 HG13 ' CE1' ' A' ' 62' ' ' PHE . 4.2 p 178.07 125.51 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.86 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -75.21 142.5 14.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.863 0.363 . . . . 0.0 110.292 179.658 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' PHE . . . . . 0.923 ' CE2' HG21 ' A' ' 49' ' ' VAL . 21.4 m-30 -122.14 154.04 37.93 Favored 'General case' 0 CA--C 1.511 -0.552 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.56 179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.661 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.2 OUTLIER -149.93 154.36 38.16 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.794 179.58 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 51.0 mt -81.88 99.11 8.86 Favored 'General case' 0 C--N 1.314 -0.952 0 C-N-CA 120.283 -0.567 . . . . 0.0 109.651 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.42 24.82 5.21 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.608 -0.806 . . . . 0.0 113.193 -179.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 63' ' ' GLU . 1.4 p -122.31 161.28 23.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-O 121.032 0.444 . . . . 0.0 110.403 -179.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.636 ' HA ' ' O ' ' A' ' 80' ' ' GLY . 2.0 m -87.45 143.62 27.14 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.552 179.808 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.647 ' HD2' ' CZ ' ' A' ' 93' ' ' PHE . 0.2 OUTLIER -82.42 156.12 24.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.87 -179.585 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -142.6 118.83 10.78 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.934 -0.575 . . . . 0.0 111.147 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TYR . . . . . 0.546 ' OH ' HG21 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -157.17 64.82 0.5 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.287 179.73 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -89.11 -59.31 2.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.922 -179.587 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD23 ' O ' ' A' ' 73' ' ' ALA . 4.8 tt 63.47 120.88 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.629 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.475 ' O ' HD23 ' A' ' 72' ' ' LEU . . . -53.15 133.92 38.95 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.341 -179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 4.1 t0 61.16 27.88 17.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.018 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -126.83 -81.59 0.38 Allowed Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.299 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.1 t -157.43 -165.68 1.85 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.908 0.385 . . . . 0.0 111.231 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 12.7 mt-10 -155.3 75.17 0.93 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.094 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.877 ' CD2' HD13 ' A' ' 102' ' ' LEU . 0.3 OUTLIER -102.76 118.21 36.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.017 0.437 . . . . 0.0 111.374 -179.243 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ARG . . . . . 0.822 ' O ' ' HB2' ' A' ' 94' ' ' LYS . 1.6 ttp180 -124.85 117.72 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.906 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.636 ' O ' ' HA ' ' A' ' 67' ' ' THR . . . -142.27 -126.17 2.09 Favored Glycine 0 C--O 1.227 -0.29 0 C-N-CA 120.176 -1.011 . . . . 0.0 112.67 179.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.417 HG23 ' O ' ' A' ' 80' ' ' GLY . 18.6 p -157.72 175.38 13.97 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-O 121.199 0.523 . . . . 0.0 111.409 179.246 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' TRP . . . . . 0.801 ' CZ2' HD11 ' A' ' 89' ' ' LEU . 0.0 OUTLIER -145.83 127.96 15.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.607 -0.724 . . . . 0.0 109.471 179.616 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.474 ' O ' HD12 ' A' ' 90' ' ' ILE . 13.6 m -138.43 149.54 45.58 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.929 0.395 . . . . 0.0 111.344 -179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.434 HD11 ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -121.46 124.99 45.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.609 179.695 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -114.04 94.31 4.76 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.767 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 60.39 -101.5 0.29 Allowed Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.541 -0.838 . . . . 0.0 111.944 -179.636 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.88 21.07 17.91 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.72 0.295 . . . . 0.0 110.794 179.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -124.39 148.84 47.29 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.939 0.4 . . . . 0.0 111.084 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . 0.801 HD11 ' CZ2' ' A' ' 82' ' ' TRP . 1.7 tm? -129.7 128.48 42.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.474 HD12 ' O ' ' A' ' 83' ' ' SER . 0.8 OUTLIER -126.53 136.57 60.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.228 0.537 . . . . 0.0 111.957 -179.798 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLY . . . . . 0.516 ' CA ' ' CD1' ' A' ' 82' ' ' TRP . . . -130.69 156.61 21.75 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.102 179.164 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.508 ' HG3' ' O ' ' A' ' 91' ' ' GLY . 0.1 OUTLIER -152.05 158.9 43.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 117.169 0.484 . . . . 0.0 111.719 -178.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PHE . . . . . 0.647 ' CZ ' ' HD2' ' A' ' 68' ' ' PHE . 52.2 m-85 -141.69 170.6 15.42 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.872 178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.822 ' HB2' ' O ' ' A' ' 79' ' ' ARG . 0.0 OUTLIER -151.62 124.1 8.37 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.137 177.706 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.562 ' HB2' ' HB2' ' A' ' 100' ' ' ASN . 3.2 mtp180 -76.25 144.9 40.08 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.261 -179.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -79.89 -21.76 43.63 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.934 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -50.7 -38.67 48.36 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.082 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -164.79 31.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.838 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 55.6 36.99 66.04 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.852 -0.69 . . . . 0.0 112.625 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.63 ' O ' ' HA ' ' A' ' 94' ' ' LYS . 27.5 m120 -63.48 136.24 57.45 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . 0.455 ' HA ' ' HD3' ' A' ' 94' ' ' LYS . 8.7 mm-40 -83.21 149.36 26.87 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.337 0.589 . . . . 0.0 111.702 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.877 HD13 ' CD2' ' A' ' 78' ' ' LEU . 4.3 tt -143.83 111.92 6.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.065 -0.97 . . . . 0.0 110.467 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.719 ' HB2' HG12 ' A' ' 118' ' ' VAL . 3.8 m120 -102.94 150.6 23.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.364 -179.089 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.443 ' HB ' ' CD2' ' A' ' 117' ' ' TYR . 1.2 p -146.04 117.55 8.02 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.486 179.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' VAL . . . . . . . . . . . . . 21.6 t -113.59 118.49 58.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.145 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.539 ' HD3' HD12 ' A' ' 113' ' ' LEU . 3.5 ttm180 -114.17 116.26 28.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -115.22 137.38 52.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.597 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ILE . . . . . 1.004 HD13 HD11 ' A' ' 113' ' ' LEU . 8.4 mm -75.1 83.27 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.865 0.364 . . . . 0.0 111.037 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 109' ' ' ILE . 5.5 tp -75.42 118.53 21.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.22 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 48.98 -121.13 7.78 Favored Glycine 0 N--CA 1.449 -0.449 0 C-N-CA 119.976 -1.107 . . . . 0.0 111.892 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -104.17 15.91 27.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.309 -0.445 . . . . 0.0 110.261 178.802 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.524 ' O ' HD22 ' A' ' 113' ' ' LEU . 26.0 mt-10 -132.8 177.79 7.37 Favored 'General case' 0 CA--C 1.521 -0.144 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.421 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 1.004 HD11 HD13 ' A' ' 108' ' ' ILE . 2.2 mm? -119.76 130.35 54.92 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.063 0.459 . . . . 0.0 111.864 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.513 HG13 ' O ' ' A' ' 114' ' ' VAL . 6.3 p -105.53 107.64 23.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.348 178.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . 0.526 ' HB2' ' HB3' ' A' ' 126' ' ' ARG . 4.2 mt-30 -94.18 138.89 31.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.191 0.519 . . . . 0.0 112.209 -178.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.856 HG23 ' HG3' ' A' ' 125' ' ' LYS . 0.2 OUTLIER -137.93 114.35 10.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.747 179.032 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' TYR . . . . . 0.52 ' HB2' ' CZ ' ' A' ' 17' ' ' PHE . 2.3 m-85 -115.95 156.51 26.1 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.494 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' VAL . . . . . 0.719 HG12 ' HB2' ' A' ' 103' ' ' ASN . 9.9 p -150.98 129.76 2.96 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.327 0 CA-C-O 120.671 0.272 . . . . 0.0 111.511 179.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' TYR . . . . . 0.605 ' HB2' HD12 ' A' ' 102' ' ' LEU . 43.1 t80 -139.94 116.16 10.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.471 179.305 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' C ' ' O ' ' A' ' 119' ' ' TYR . 9.6 mm-40 25.03 89.91 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.544 -0.753 . . . . 0.0 112.998 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . 84.2 -36.99 2.87 Favored Glycine 0 CA--C 1.52 0.397 0 C-N-CA 120.676 -0.773 . . . . 0.0 114.65 178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.946 HG13 ' HG2' ' A' ' 16' ' ' LYS . 3.2 t -95.67 144.26 10.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 112.795 0.665 . . . . 0.0 112.795 -178.07 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.491 ' HG3' ' HB ' ' A' ' 118' ' ' VAL . 3.7 tt0 -140.9 117.59 10.96 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.985 -1.007 . . . . 0.0 109.314 178.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ALA . . . . . 0.54 ' HB2' ' O ' ' A' ' 13' ' ' ASN . . . -120.4 136.08 54.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.998 0.428 . . . . 0.0 111.525 -178.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.856 ' HG3' HG23 ' A' ' 116' ' ' THR . 4.3 mtmt -108.04 164.81 11.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.801 -0.636 . . . . 0.0 109.489 179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.712 ' HD3' HG23 ' A' ' 8' ' ' VAL . 4.6 ttm180 -159.41 116.22 2.63 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.463 -0.495 . . . . 0.0 112.188 -178.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . 0.582 HG12 ' HG3' ' A' ' 10' ' ' ARG . 3.7 mm -80.87 138.08 20.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.257 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 178.016 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' PHE . . . . . 0.853 ' CE1' ' HB3' ' A' ' 6' ' ' TRP . 29.9 t80 -117.89 153.9 32.78 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.497 0.665 . . . . 0.0 112.764 -178.18 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LYS . . . . . 0.467 ' O ' ' CE1' ' A' ' 128' ' ' PHE . 3.5 mmmm -143.01 161.87 36.99 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 114.824 -1.08 . . . . 0.0 109.076 178.252 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.42 151.72 22.46 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.171 0.51 . . . . 0.0 111.939 -179.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 1.7 t70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.185 -0.912 . . . . 0.35 110.953 -179.962 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' KTR . . . . . 0.501 ' H2 ' ' CE1' ' A' ' 14' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_