data_1xs9_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 1xs9 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.575 0.226 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m 61.65 64.33 1.05 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.389 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.2 ttt -133.62 -60.21 0.84 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.996 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m 60.19 38.24 20.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.014 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -132.59 -64.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.82 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -124.38 161.21 26.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.086 0.469 . . . . 0.0 111.046 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -109.79 149.22 30.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.764 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -34.86 77.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.53 -12.76 60.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.319 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.35 -44.46 8.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.271 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.1 tp -59.05 -33.73 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.493 HG21 HG12 ' A' ' 13' ' ' ILE . 9.7 t -70.49 -15.91 62.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.686 0.279 . . . . 0.0 111.351 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.592 HD12 ' HB3' ' A' ' 47' ' ' MET . 36.7 mm -111.43 -15.73 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.548 0.69 . . . . 0.0 109.912 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -79.6 31.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.841 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.439 ' H ' ' C ' ' A' ' 13' ' ' ILE . 25.3 m -147.8 21.31 1.14 Allowed 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.425 ' O ' HG12 ' A' ' 20' ' ' ILE . 32.6 mm -115.16 -38.68 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.533 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.17 -49.5 77.61 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.16 0.505 . . . . 0.0 110.278 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.496 ' HA ' HG13 ' D' ' 264' ' ' VAL . 10.1 p-10 -65.23 -33.66 76.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.695 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.604 ' HZ3' ' HB3' ' A' ' 29' ' ' SER . 63.8 t90 -63.52 -47.17 82.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 110.024 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.662 HG23 HD21 ' A' ' 24' ' ' LEU . 47.7 mm -62.38 -51.02 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.367 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.662 ' HG3' ' HB3' ' A' ' 123' ' ' PRO . 56.0 mm-40 -54.65 -39.36 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.526 ' HB2' ' HB ' ' D' ' 264' ' ' VAL . 1.3 t70 -88.23 7.36 32.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.63 0.252 . . . . 0.0 111.305 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.35 16.42 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.662 HD21 HG23 ' A' ' 20' ' ' ILE . 4.1 pp -110.08 -2.45 16.97 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.844 -0.535 . . . . 0.0 112.325 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.31 -27.75 62.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.783 0.325 . . . . 0.0 111.286 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.783 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 7.0 m -133.15 -57.02 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.841 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.783 ' HD3' ' HB2' ' A' ' 26' ' ' SER . 13.7 Cg_exo -71.77 169.22 21.69 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.175 1.916 . . . . 0.0 111.779 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.455 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 5.5 mp -80.58 -48.91 12.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.604 ' HB3' ' HZ3' ' A' ' 19' ' ' TRP . 8.7 m 52.0 62.79 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.84 -167.87 1.77 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.105 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.626 ' HG2' ' HG3' ' A' ' 45' ' ' GLN . 10.8 mp0 -55.07 -40.99 70.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.804 0.335 . . . . 0.0 111.713 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -65.93 -30.95 71.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.272 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.516 HG13 ' HH2' ' A' ' 19' ' ' TRP . 39.2 t -81.47 -34.16 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.35 0.595 . . . . 0.0 109.489 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 m -78.96 -2.15 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.624 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.435 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 2.0 tt0 -60.71 -33.88 73.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.51 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -3.25 57.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.787 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.4 m -116.96 13.19 14.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.777 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.66 -105.58 0.18 Allowed Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.738 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.49 -177.23 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -55.76 144.09 28.64 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.673 0.608 . . . . 0.0 111.089 179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HG3' ' H ' ' A' ' 42' ' ' TRP . 8.0 ptpp? -40.64 -58.31 1.65 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.527 ' H ' ' HG3' ' A' ' 41' ' ' LYS . 5.6 m-90 -59.62 -26.72 65.71 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -90.24 -40.98 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.938 -0.476 . . . . 0.0 110.225 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' HA ' HD11 ' A' ' 44' ' ' LEU . 24.0 tp -64.95 -39.01 92.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.584 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLN . . . . . 0.626 ' HG3' ' HG2' ' A' ' 31' ' ' GLU . 72.6 mt-30 -58.99 -45.06 91.58 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.842 0.353 . . . . 0.0 110.442 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -63.04 -45.51 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.916 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.592 ' HB3' HD12 ' A' ' 13' ' ' ILE . 94.9 mtp -67.09 -41.43 86.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.24 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -65.16 -44.3 88.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -65.06 -36.13 83.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.993 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -83.24 -0.02 47.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.77 0.319 . . . . 0.0 111.826 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.59 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -112.74 -59.03 2.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.869 0.366 . . . . 0.0 110.794 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 70.6 p -76.72 -39.75 50.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.005 0.431 . . . . 0.0 111.299 -179.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.59 -19.61 26.02 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -112.01 163.97 13.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.757 0.313 . . . . 0.0 110.293 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.4 m -79.83 149.87 30.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.833 179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.579 HD11 ' HG3' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.48 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.8 -31.32 46.18 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.397 -0.43 . . . . 0.0 112.93 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -69.27 -45.11 70.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.325 0.584 . . . . 0.0 109.527 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.523 ' CE1' ' HB2' ' A' ' 125' ' ' ASN . 61.6 t80 -60.92 -44.74 96.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.291 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ILE . . . . . 0.568 HG12 ' O ' ' A' ' 56' ' ' LEU . 20.1 mm -53.61 -52.81 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.077 0.465 . . . . 0.0 111.007 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 61' ' ' ARG . 33.9 mtm180 -63.25 -44.15 95.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.234 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.5 ' O ' HG22 ' A' ' 66' ' ' THR . 34.1 m -58.48 -46.8 85.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.801 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -69.26 -41.76 76.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.49 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.455 ' NZ ' ' HA ' ' A' ' 28' ' ' LEU . 73.4 mttt -63.19 -38.75 92.41 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.756 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.705 ' HE2' ' HA ' ' A' ' 65' ' ' MET . 17.0 mmt -59.22 -54.11 50.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.308 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.5 HG22 ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -65.09 -34.41 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.326 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.45 ' HB3' ' OH ' ' A' ' 86' ' ' TYR . 46.6 mm-40 -63.41 -43.45 97.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.918 0.389 . . . . 0.0 110.34 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.69 -39.32 80.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.192 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.93 83.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.064 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 66' ' ' THR . 29.6 mt-30 -64.81 -40.82 95.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.318 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -73.86 -9.01 58.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.092 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 22.5 mt -92.98 -24.18 18.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -99.56 -54.03 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.462 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -50.01 28.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.545 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.44 171.7 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -121.55 22.07 10.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.3 0.572 . . . . 0.0 109.714 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 60.3 mt-10 -60.38 128.31 87.73 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.992 179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.503 ' HG2' ' CB ' ' A' ' 81' ' ' TYR . 6.8 Cg_endo -50.11 142.85 26.74 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.614 2.876 . . . . 0.0 112.892 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 28.9 mt -59.85 -43.63 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.815 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -39.09 89.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . 0.503 ' CB ' ' HG2' ' A' ' 78' ' ' PRO . 76.0 t80 -67.22 -50.3 61.32 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.866 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.1 mt -56.46 -40.8 75.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.64 -58.96 6.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.83 -36.88 77.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.047 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.589 ' O ' ' HA ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -66.21 -43.47 86.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.432 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.45 ' OH ' ' HB3' ' A' ' 67' ' ' GLU . 7.1 m-85 -79.59 -4.03 49.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 105.21 8.66 35.54 Favored Glycine 0 CA--C 1.516 0.133 0 C-N-CA 119.98 -1.105 . . . . 0.0 114.29 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -81.54 138.21 35.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.257 0.528 . . . . 0.0 109.885 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.54 -33.24 75.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.94 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 p -155.35 161.5 41.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.521 0.2 . . . . 0.0 111.471 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -61.95 -38.35 88.14 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -55.88 -39.81 72.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.232 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -62.77 -49.16 76.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.5 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.16 -41.07 92.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.163 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.435 HG22 ' HD2' ' A' ' 106' ' ' PRO . 12.9 m -60.33 -37.73 81.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.418 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -68.14 -49.08 63.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.633 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -61.27 -46.33 90.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -62.24 -44.09 97.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 103' ' ' ASP . 28.5 tptp -67.59 -32.45 73.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.393 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -88.58 8.67 27.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.005 0.431 . . . . 0.0 111.418 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -123.73 -58.79 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.715 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 65' ' ' MET . 83.8 m-85 -91.96 -13.61 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.996 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.496 ' HA ' ' O ' ' A' ' 99' ' ' LYS . 3.5 m-20 71.87 -0.57 3.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.973 0.796 . . . . 0.0 111.65 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.452 ' HB ' ' HD1' ' A' ' 109' ' ' TYR . 58.4 t -118.19 131.85 24.01 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PRO . . . . . 0.559 ' HB3' " C5'" ' B' ' 407' ' ' ' DT' . 51.5 Cg_exo -56.4 138.93 85.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.666 2.244 . . . . 0.0 111.839 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.435 ' HD2' HG22 ' A' ' 95' ' ' THR . 77.7 Cg_exo -48.37 -43.88 31.08 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.403 2.735 . . . . 0.0 113.646 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -68.83 -36.67 78.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.155 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -73.39 -37.24 66.04 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.452 ' HD1' ' HB ' ' A' ' 104' ' ' VAL . 4.5 t80 -59.8 -30.98 69.27 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.311 0.577 . . . . 0.0 110.264 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.495 ' HD3' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -69.6 -30.86 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.821 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' MET . . . . . 0.813 ' HA ' ' HE3' ' A' ' 111' ' ' MET . 1.1 mmt -98.51 -14.4 20.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' THR . . . . . 0.421 ' OG1' ' HA ' ' A' ' 109' ' ' TYR . 7.8 p -76.77 109.33 10.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.947 0.403 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.73 -23.83 33.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.52 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 40.9 ttm -76.32 -23.38 54.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.47 134.3 40.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.823 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -132.84 -136.17 3.73 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.108 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.432 ' HG3' ' HB2' ' A' ' 120' ' ' PHE . 1.0 OUTLIER -84.62 76.29 10.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.138 0.494 . . . . 0.0 110.654 -179.441 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m -119.75 125.64 49.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.858 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 68.32 27.84 6.42 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.423 0.63 . . . . 0.0 109.94 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' PHE . . . . . 0.432 ' HB2' ' HG3' ' A' ' 117' ' ' GLU . 3.3 m-85 -92.79 99.43 12.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.89 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.46 132.9 39.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -95.4 164.28 19.46 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.938 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PRO . . . . . 0.662 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 13.8 Cg_exo -72.21 35.93 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.407 2.738 . . . . 0.0 113.124 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . 0.694 HD23 ' HD2' ' A' ' 127' ' ' TYR . 60.5 tp -107.91 -54.14 2.53 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.523 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 60.3 t30 48.55 58.13 5.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.401 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -151.62 -32.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.717 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.694 ' HD2' HD23 ' A' ' 124' ' ' LEU . 90.3 m-85 -125.92 74.02 1.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 66.6 t30 73.13 -26.41 0.19 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.426 0.632 . . . . 0.0 110.866 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . 0.551 ' H ' ' C ' ' A' ' 127' ' ' TYR . 60.9 m . . . . . 0 C--O 1.248 0.989 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 404' ' ' ' DG' . . . . . 0.914 " C2'" H2'' ' B' ' 404' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.521 -0.724 0 O4'-C4'-C3' 104.213 -1.387 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 405' ' ' ' DA' . . . . . 0.917 H2'' " C2'" ' B' ' 405' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C4'-C3' 104.169 -1.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 406' ' ' ' DT' . . . . . 0.927 H2'' " C2'" ' B' ' 406' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C4'-C3' 103.985 -1.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 407' ' ' ' DT' . . . . . 0.92 H2'' " C2'" ' B' ' 407' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C4'-C3' 104.109 -1.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 408' ' ' ' DT' . . . . . 0.914 H2'' " C2'" ' B' ' 408' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C4'-C3' 104.037 -1.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 409' ' ' ' DA' . . . . . 0.919 H2'' " C2'" ' B' ' 409' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C4'-C3' 104.238 -1.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 410' ' ' ' DG' . . . . . 0.873 H2'' " C2'" ' B' ' 410' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 103.936 -1.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 411' ' ' ' DC' . . . . . 0.907 H2'' " C2'" ' B' ' 411' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.09 0 O4'-C4'-C3' 104.218 -1.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 412' ' ' ' DA' . . . . . 0.932 H2'' " C2'" ' B' ' 412' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C4'-C3' 104.121 -1.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 413' ' ' ' DA' . . . . . 0.911 H2'' " C2'" ' B' ' 413' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C4'-C3' 104.315 -1.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 414' ' ' ' DA' . . . . . 0.896 H2'' " C2'" ' B' ' 414' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C4'-C3' 104.298 -1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 415' ' ' ' DA' . . . . . 0.917 " C2'" H2'' ' B' ' 415' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C4'-C3' 104.265 -1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 416' ' ' ' DC' . . . . . 0.923 H2'' " C2'" ' B' ' 416' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C4'-C3' 104.108 -1.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 417' ' ' ' DG' . . . . . 0.89 H2'' " C2'" ' B' ' 417' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C4'-C3' 104.164 -1.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 418' ' ' ' DT' . . . . . 0.897 H2'' " C2'" ' B' ' 418' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C4'-C3' 103.858 -1.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 419' ' ' ' DG' . . . . . 0.916 H2'' " C2'" ' B' ' 419' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C4'-C3' 104.201 -1.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 420' ' ' ' DG' . . . . . 0.922 H2'' " C2'" ' B' ' 420' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O4'-C4'-C3' 104.168 -1.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 421' ' ' ' DC' . . . . . 0.905 H2'' " C2'" ' B' ' 421' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C4'-C3' 104.161 -1.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 422' ' ' ' DA' . . . . . 0.884 H2'' " C2'" ' B' ' 422' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C4'-C3' 104.184 -1.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 423' ' ' ' DT' . . . . . 0.895 " C2'" H2'' ' B' ' 423' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C4'-C3' 104.063 -1.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 428' ' ' ' DA' . . . . . 0.897 H2'' " C2'" ' C' ' 428' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.421 -1.177 0 O4'-C1'-C2' 107.538 1.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 429' ' ' ' DT' . . . . . 0.873 " C2'" H2'' ' C' ' 429' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C4'-C3' 104.266 -1.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 430' ' ' ' DG' . . . . . 0.926 " C2'" H2'' ' C' ' 430' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.653 1.411 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 431' ' ' ' DC' . . . . . 0.908 H2'' " C2'" ' C' ' 431' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 O4'-C4'-C3' 104.141 -1.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 432' ' ' ' DC' . . . . . 0.899 H2'' " C2'" ' C' ' 432' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C4'-C3' 104.228 -1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 433' ' ' ' DA' . . . . . 0.885 H2'' " C2'" ' C' ' 433' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C4'-C3' 104.146 -1.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 434' ' ' ' DC' . . . . . 0.88 " C2'" H2'' ' C' ' 434' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C4'-C3' 104.279 -1.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 435' ' ' ' DG' . . . . . 0.912 H2'' " C2'" ' C' ' 435' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C4'-C3' 103.988 -1.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 436' ' ' ' DT' . . . . . 0.891 H2'' " C2'" ' C' ' 436' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C4'-C3' 104.185 -1.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 437' ' ' ' DT' . . . . . 0.885 H2'' " C2'" ' C' ' 437' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C4'-C3' 104.228 -1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 438' ' ' ' DT' . . . . . 0.925 H2'' " C2'" ' C' ' 438' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C4'-C3' 104.138 -1.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 439' ' ' ' DT' . . . . . 0.904 H2'' " C2'" ' C' ' 439' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.072 0 O4'-C4'-C3' 104.132 -1.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 440' ' ' ' DG' . . . . . 0.903 H2'' " C2'" ' C' ' 440' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.042 0 O4'-C4'-C3' 103.95 -1.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 441' ' ' ' DC' . . . . . 0.889 H2'' " C2'" ' C' ' 441' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C4'-C3' 103.992 -1.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 442' ' ' ' DT' . . . . . 0.885 H2'' " C2'" ' C' ' 442' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.06 0 O4'-C4'-C3' 104.129 -1.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 443' ' ' ' DA' . . . . . 0.931 " C2'" H2'' ' C' ' 443' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 104.086 -1.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 444' ' ' ' DA' . . . . . 0.919 " C2'" H2'' ' C' ' 444' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 107.623 1.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 445' ' ' ' DA' . . . . . 0.928 " C2'" H2'' ' C' ' 445' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C4'-C3' 104.168 -1.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 446' ' ' ' DT' . . . . . 0.926 " C2'" H2'' ' C' ' 446' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 104.148 -1.452 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 447' ' ' ' DC' . . . . . 0.894 H2'' " C2'" ' C' ' 447' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 107.583 1.348 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 249' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 250' ' ' ASP . . . . . 0.524 ' HB3' ' HB2' ' D' ' 253' ' ' LEU . 12.2 t70 -83.83 134.2 44.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.554 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 251' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.43 -32.35 80.77 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.305 2.67 . . . . 0.0 114.03 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 252' ' ' ILE . . . . . 0.796 ' HA ' ' HD3' ' D' ' 255' ' ' ARG . 9.2 pt -94.67 -17.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.596 -178.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 253' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' D' ' 250' ' ' ASP . 26.1 tp -67.68 -30.86 70.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.289 0.566 . . . . 0.0 110.154 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 254' ' ' LEU . . . . . . . . . . . . . 78.0 mt -99.09 29.87 3.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.342 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 255' ' ' ARG . . . . . 0.796 ' HD3' ' HA ' ' D' ' 252' ' ' ILE . 25.8 mtp180 -113.61 162.81 20.66 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.273 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 256' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' D' ' 276' ' ' HIS . 3.1 Cg_exo -75.63 141.55 25.01 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.137 1.891 . . . . 0.0 110.52 178.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 257' ' ' VAL . . . . . 0.687 HG11 HD11 ' D' ' 278' ' ' ILE . 17.0 m -60.74 -27.03 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.7 0.286 . . . . 0.0 111.358 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.4 -19.31 61.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 111.051 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 259' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -127.37 62.24 1.37 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.299 0.571 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 260' ' ' LEU . . . . . 0.663 HD22 HD11 ' D' ' 262' ' ' LEU . 20.3 tp -115.73 -10.06 11.83 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.88 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 261' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 62.36 73.59 0.46 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.087 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 262' ' ' LEU . . . . . 0.663 HD11 HD22 ' D' ' 260' ' ' LEU . 84.9 mt -120.33 -138.34 0.33 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.132 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 263' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -164.56 1.04 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 264' ' ' VAL . . . . . 0.536 HG11 ' HB2' ' A' ' 21' ' ' GLU . 3.3 t -81.2 -65.2 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 265' ' ' ARG . . . . . 0.602 ' HG3' ' HA ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -86.03 83.81 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 266' ' ' SER . . . . . . . . . . . . . 3.5 p -168.82 -71.54 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.012 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 267' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.07 99.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.259 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 268' ' ' ASN . . . . . 0.445 ' O ' ' HG3' ' D' ' 271' ' ' LYS . 17.0 t30 -70.76 -37.42 73.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.006 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 269' ' ' CYS . . . . . 0.551 ' SG ' ' HG2' ' D' ' 265' ' ' ARG . 0.0 OUTLIER -73.91 -31.73 63.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.668 0.271 . . . . 0.0 111.656 -179.508 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 270' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.61 -39.1 93.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 271' ' ' LYS . . . . . 0.571 ' HA ' ' O ' ' D' ' 275' ' ' ILE . 0.0 OUTLIER -75.27 -1.39 23.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.651 -179.03 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 272' ' ' ALA . . . . . . . . . . . . . . . -96.52 -1.73 46.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.201 0.524 . . . . 0.0 110.349 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.34 33.23 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 274' ' ' ALA . . . . . . . . . . . . . . . 64.91 21.03 12.27 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.374 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 275' ' ' ILE . . . . . 0.632 HG23 ' HB3' ' D' ' 280' ' ' ASP . 14.0 mt -109.05 102.23 13.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.962 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 276' ' ' HIS . . . . . 0.461 ' O ' ' HA ' ' D' ' 256' ' ' PRO . 1.9 p-80 -113.17 9.03 18.41 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.501 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 277' ' ' TYR . . . . . 0.445 ' HD1' ' O ' ' D' ' 276' ' ' HIS . 0.1 OUTLIER -144.29 140.96 29.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.823 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 278' ' ' ILE . . . . . 0.687 HD11 HG11 ' D' ' 257' ' ' VAL . 20.2 mm -62.41 -25.72 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 279' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.72 62.69 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.037 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 280' ' ' ASP . . . . . 0.632 ' HB3' HG23 ' D' ' 275' ' ' ILE . 7.7 t0 -79.17 -34.85 42.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 0.0 109.733 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 281' ' ' LEU . . . . . . . . . . . . . 45.0 tp -63.38 -40.32 96.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.946 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 282' ' ' VAL . . . . . 0.515 HG12 HD12 ' D' ' 312' ' ' LEU . 5.7 m -69.21 -17.82 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 111.708 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 283' ' ' GLN . . . . . 0.608 ' HA ' ' HA2' ' D' ' 315' ' ' GLY . 44.9 mt-30 -107.72 9.27 29.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.217 0.532 . . . . 0.0 110.016 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 284' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -96.24 138.5 33.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.418 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 285' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.05 112.03 18.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.2 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 286' ' ' GLU . . . . . 0.619 ' HG3' HD13 ' D' ' 314' ' ' LEU . 55.2 mt-10 -56.42 -37.47 70.24 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.539 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 287' ' ' VAL . . . . . 0.474 ' O ' ' HG3' ' D' ' 291' ' ' LYS . 20.9 m -57.88 -23.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 288' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -104.67 -41.37 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.079 0.466 . . . . 0.0 110.039 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 289' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.57 -43.67 98.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.335 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 290' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' D' ' 290' ' ' LEU . 3.8 mm? -79.53 -2.46 42.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.747 0.308 . . . . 0.0 111.28 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 291' ' ' LYS . . . . . 0.474 ' HG3' ' O ' ' D' ' 287' ' ' VAL . 8.3 mtmm -99.2 -9.43 23.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.813 0.34 . . . . 0.0 110.355 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 292' ' ' THR . . . . . . . . . . . . . 2.6 m -58.51 137.45 85.83 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.516 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 293' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.75 66.21 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.928 2.418 . . . . 0.0 113.385 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 294' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 176.33 -47.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.522 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 295' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.17 135.65 57.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.096 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 296' ' ' GLY . . . . . . . . . . . . . . . -101.92 150.64 18.33 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.91 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 297' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.33 -22.02 65.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.759 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 298' ' ' LYS . . . . . 0.426 ' HD3' HH22 ' D' ' 265' ' ' ARG . 50.6 tttm -71.64 -17.77 62.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.767 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 299' ' ' SER . . . . . . . . . . . . . 2.0 m -80.94 -21.7 40.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 300' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.25 -36.52 75.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.214 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 301' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -43.73 92.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.574 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 302' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -74.52 -42.1 59.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 110.981 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 303' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.33 -49.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 304' ' ' LYS . . . . . 0.419 ' HE2' ' HB2' ' D' ' 304' ' ' LYS . 21.8 ttmm -64.05 -29.92 71.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 305' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.59 -45.11 94.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.69 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 306' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' D' ' 310' ' ' ARG . 40.4 t -60.48 -46.27 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.161 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 307' ' ' LEU . . . . . 0.482 ' HA ' HD13 ' D' ' 312' ' ' LEU . 4.1 mp -67.17 -47.92 69.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.533 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 308' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.63 89.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 309' ' ' SER . . . . . . . . . . . . . 6.1 m -71.85 -9.13 57.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 310' ' ' ARG . . . . . 0.469 ' HB2' ' O ' ' D' ' 306' ' ' VAL . 0.0 OUTLIER -110.27 -2.78 16.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.796 0.331 . . . . 0.0 111.21 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 311' ' ' GLY . . . . . . . . . . . . . . . 72.15 38.44 59.26 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.414 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 312' ' ' LEU . . . . . 0.659 HD22 ' HE1' ' D' ' 316' ' ' MET . 8.2 mt -109.12 140.59 42.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 313' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.13 164.44 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 111.199 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 314' ' ' LEU . . . . . 0.619 HD13 ' HG3' ' D' ' 286' ' ' GLU . 0.5 OUTLIER -64.45 110.87 2.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.687 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 315' ' ' GLY . . . . . 0.608 ' HA2' ' HA ' ' D' ' 283' ' ' GLN . . . 75.26 30.89 58.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.543 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 316' ' ' MET . . . . . 0.659 ' HE1' HD22 ' D' ' 312' ' ' LEU . 17.0 ttp -71.52 109.58 5.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.774 0.321 . . . . 0.0 110.315 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 317' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' D' ' 317' ' ' ARG . 0.0 OUTLIER -62.81 123.52 18.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.624 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 318' ' ' LEU . . . . . . . . . . . . . 14.1 mt -93.58 138.38 31.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.112 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 319' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.08 -42.87 79.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 320' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -153.7 123.19 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.005 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 321' ' ' TRP . . . . . 0.585 ' H ' ' CD ' ' D' ' 322' ' ' PRO . 31.4 p-90 -134.67 -36.09 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 322' ' ' PRO . . . . . 0.585 ' CD ' ' H ' ' D' ' 321' ' ' TRP . 90.6 Cg_endo -84.56 116.9 2.0 Favored 'Trans proline' 0 C--N 1.364 1.389 0 C-N-CA 121.676 1.584 . . . . 0.0 112.395 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 323' ' ' PRO . . . . . 0.48 ' HD2' HG23 ' D' ' 326' ' ' ILE . 84.9 Cg_endo -81.03 -155.06 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.0 2.466 . . . . 0.0 112.382 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.41 -57.9 3.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.35 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 325' ' ' SER . . . . . . . . . . . . . 6.6 m -92.44 107.77 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.119 0.485 . . . . 0.0 111.486 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 326' ' ' ILE . . . . . 0.48 HG23 ' HD2' ' D' ' 323' ' ' PRO . 0.7 OUTLIER -138.88 103.49 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.228 178.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 327' ' ' ALA . . . . . . . . . . . . . . . -126.07 -175.02 3.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.823 0.345 . . . . 0.0 111.076 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 328' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.28 178.79 4.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.804 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 329' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.019 -179.048 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.575 0.226 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m 61.65 64.33 1.05 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.389 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.2 ttt -133.62 -60.21 0.84 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.996 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m 60.19 38.24 20.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.014 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -132.59 -64.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.82 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -124.38 161.21 26.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.086 0.469 . . . . 0.0 111.046 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -109.79 149.22 30.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.764 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -34.86 77.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.53 -12.76 60.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.319 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.35 -44.46 8.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.271 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.1 tp -59.05 -33.73 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.448 HG23 HG12 ' A' ' 13' ' ' ILE . 9.7 t -70.49 -15.91 62.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.686 0.279 . . . . 0.0 111.351 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.678 HD11 ' HB3' ' A' ' 47' ' ' MET . 36.7 mm -111.43 -15.73 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.548 0.69 . . . . 0.0 109.912 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -79.6 31.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.841 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 13' ' ' ILE . 25.3 m -147.8 21.31 1.14 Allowed 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.444 ' O ' HG12 ' A' ' 20' ' ' ILE . 32.6 mm -115.16 -38.68 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.533 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.17 -49.5 77.61 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.16 0.505 . . . . 0.0 110.278 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.45 ' HA ' HG12 ' D' ' 264' ' ' VAL . 10.1 p-10 -65.23 -33.66 76.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.695 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.608 ' HZ3' ' HB3' ' A' ' 29' ' ' SER . 63.8 t90 -63.52 -47.17 82.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 110.024 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.675 HG22 HD23 ' A' ' 24' ' ' LEU . 47.7 mm -62.38 -51.02 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.367 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.679 ' HG3' ' HB3' ' A' ' 123' ' ' PRO . 56.0 mm-40 -54.65 -39.36 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.534 ' HB2' ' HB ' ' D' ' 264' ' ' VAL . 1.3 t70 -88.23 7.36 32.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.63 0.252 . . . . 0.0 111.305 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.35 16.42 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.675 HD23 HG22 ' A' ' 20' ' ' ILE . 4.1 pp -110.08 -2.45 16.97 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.844 -0.535 . . . . 0.0 112.325 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.31 -27.75 62.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.783 0.325 . . . . 0.0 111.286 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.764 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 7.0 m -133.15 -57.02 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.841 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.764 ' HD3' ' HB2' ' A' ' 26' ' ' SER . 13.7 Cg_exo -71.77 169.22 21.69 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.175 1.916 . . . . 0.0 111.779 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 5.5 mp -80.58 -48.91 12.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.608 ' HB3' ' HZ3' ' A' ' 19' ' ' TRP . 8.7 m 52.0 62.79 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.434 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -93.84 -167.87 1.77 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.105 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.655 ' HG2' ' HG3' ' A' ' 45' ' ' GLN . 10.8 mp0 -55.07 -40.99 70.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.804 0.335 . . . . 0.0 111.713 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -65.93 -30.95 71.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.272 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG12 ' HH2' ' A' ' 19' ' ' TRP . 39.2 t -81.47 -34.16 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.35 0.595 . . . . 0.0 109.489 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 m -78.96 -2.15 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.624 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 2.0 tt0 -60.71 -33.88 73.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.51 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -3.25 57.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.787 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.4 m -116.96 13.19 14.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.777 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.66 -105.58 0.18 Allowed Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.738 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.49 -177.23 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -55.76 144.09 28.64 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.673 0.608 . . . . 0.0 111.089 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.538 ' HG3' ' H ' ' A' ' 42' ' ' TRP . 8.0 ptpp? -40.64 -58.31 1.65 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.538 ' H ' ' HG3' ' A' ' 41' ' ' LYS . 5.6 m-90 -59.62 -26.72 65.71 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 4.2 t-80 -90.24 -40.98 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.938 -0.476 . . . . 0.0 110.225 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.95 -39.01 92.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLN . . . . . 0.655 ' HG3' ' HG2' ' A' ' 31' ' ' GLU . 72.6 mt-30 -58.99 -45.06 91.58 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.842 0.353 . . . . 0.0 110.442 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -63.04 -45.51 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.916 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.678 ' HB3' HD11 ' A' ' 13' ' ' ILE . 94.9 mtp -67.09 -41.43 86.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.24 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -65.16 -44.3 88.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -65.06 -36.13 83.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.993 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -83.24 -0.02 47.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.77 0.319 . . . . 0.0 111.826 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.592 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -112.74 -59.03 2.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.869 0.366 . . . . 0.0 110.794 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 125' ' ' ASN . 70.6 p -76.72 -39.75 50.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.005 0.431 . . . . 0.0 111.299 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.59 -19.61 26.02 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -112.01 163.97 13.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.757 0.313 . . . . 0.0 110.293 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.402 ' HB3' ' OP1' ' B' ' 417' ' ' ' DG' . 1.4 m -79.83 149.87 30.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.833 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.616 HD13 ' HG3' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.48 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.8 -31.32 46.18 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.397 -0.43 . . . . 0.0 112.93 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -69.27 -45.11 70.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.325 0.584 . . . . 0.0 109.527 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' ' 125' ' ' ASN . 61.6 t80 -60.92 -44.74 96.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.291 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 56' ' ' LEU . 20.1 mm -53.61 -52.81 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.077 0.465 . . . . 0.0 111.007 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 61' ' ' ARG . 33.9 mtm180 -63.25 -44.15 95.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.234 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.511 ' O ' HG22 ' A' ' 66' ' ' THR . 34.1 m -58.48 -46.8 85.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.801 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -69.26 -41.76 76.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.49 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' NZ ' ' HA ' ' A' ' 28' ' ' LEU . 73.4 mttt -63.19 -38.75 92.41 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.756 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.417 ' CE ' ' HA ' ' A' ' 65' ' ' MET . 17.0 mmt -59.22 -54.11 50.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.308 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -65.09 -34.41 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.326 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' HB3' ' OH ' ' A' ' 86' ' ' TYR . 46.6 mm-40 -63.41 -43.45 97.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.918 0.389 . . . . 0.0 110.34 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.69 -39.32 80.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.192 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.93 83.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.064 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 66' ' ' THR . 76.3 mt-30 -64.81 -40.82 95.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.318 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -73.86 -9.01 58.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.092 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 22.5 mt -92.98 -24.18 18.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -99.56 -54.03 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.462 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -50.01 28.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.545 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.44 171.7 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -121.55 22.07 10.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.3 0.572 . . . . 0.0 109.714 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 60.3 mt-10 -60.38 128.31 87.73 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.992 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.506 ' HG2' ' CB ' ' A' ' 81' ' ' TYR . 6.8 Cg_endo -50.11 142.85 26.74 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.614 2.876 . . . . 0.0 112.892 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.408 HD12 H5'' ' B' ' 406' ' ' ' DT' . 28.9 mt -59.85 -43.63 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.815 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -39.09 89.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . 0.506 ' CB ' ' HG2' ' A' ' 78' ' ' PRO . 76.0 t80 -67.22 -50.3 61.32 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.866 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.1 mt -56.46 -40.8 75.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.64 -58.96 6.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.83 -36.88 77.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.047 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.601 ' O ' ' HA ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -66.21 -43.47 86.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.432 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 67' ' ' GLU . 7.1 m-85 -79.59 -4.03 49.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 105.21 8.66 35.54 Favored Glycine 0 CA--C 1.516 0.133 0 C-N-CA 119.98 -1.105 . . . . 0.0 114.29 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -81.54 138.21 35.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.257 0.528 . . . . 0.0 109.885 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.54 -33.24 75.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.94 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 p -155.35 161.5 41.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.521 0.2 . . . . 0.0 111.471 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -61.95 -38.35 88.14 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -55.88 -39.81 72.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.232 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -62.77 -49.16 76.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.5 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.16 -41.07 92.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.163 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.453 HG23 ' HD2' ' A' ' 106' ' ' PRO . 12.9 m -60.33 -37.73 81.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.418 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -68.14 -49.08 63.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.633 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -61.27 -46.33 90.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -62.24 -44.09 97.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 103' ' ' ASP . 28.5 tptp -67.59 -32.45 73.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.393 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -88.58 8.67 27.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.005 0.431 . . . . 0.0 111.418 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -123.73 -58.79 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.715 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 65' ' ' MET . 83.8 m-85 -91.96 -13.61 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.996 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' A' ' 99' ' ' LYS . 3.5 m-20 71.87 -0.57 3.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.973 0.796 . . . . 0.0 111.65 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.456 ' HB ' ' HD1' ' A' ' 109' ' ' TYR . 58.4 t -118.19 131.85 24.01 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PRO . . . . . 0.579 ' HB3' " C5'" ' B' ' 407' ' ' ' DT' . 51.5 Cg_exo -56.4 138.93 85.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.666 2.244 . . . . 0.0 111.839 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 95' ' ' THR . 77.7 Cg_exo -48.37 -43.88 31.08 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.403 2.735 . . . . 0.0 113.646 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -68.83 -36.67 78.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.155 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -73.39 -37.24 66.04 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.456 ' HD1' ' HB ' ' A' ' 104' ' ' VAL . 4.5 t80 -59.8 -30.98 69.27 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.311 0.577 . . . . 0.0 110.264 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -69.6 -30.86 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.821 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 111' ' ' MET . . . . . 0.458 ' CE ' ' HA ' ' A' ' 111' ' ' MET . 1.1 mmt -98.51 -14.4 20.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' THR . . . . . 0.43 ' OG1' ' HA ' ' A' ' 109' ' ' TYR . 7.8 p -76.77 109.33 10.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.947 0.403 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.73 -23.83 33.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.52 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 40.9 ttm -76.32 -23.38 54.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -75.47 134.3 40.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.823 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -132.84 -136.17 3.73 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.108 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.455 ' HG3' ' HB2' ' A' ' 120' ' ' PHE . 1.0 OUTLIER -84.62 76.29 10.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.138 0.494 . . . . 0.0 110.654 -179.441 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m -119.75 125.64 49.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.858 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 68.32 27.84 6.42 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.423 0.63 . . . . 0.0 109.94 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' PHE . . . . . 0.455 ' HB2' ' HG3' ' A' ' 117' ' ' GLU . 3.3 m-85 -92.79 99.43 12.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.89 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.46 132.9 39.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -95.4 164.28 19.46 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.938 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PRO . . . . . 0.679 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 13.8 Cg_exo -72.21 35.93 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.407 2.738 . . . . 0.0 113.124 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . 0.661 HD21 ' HD2' ' A' ' 127' ' ' TYR . 60.5 tp -107.91 -54.14 2.53 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.531 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 60.3 t30 48.55 58.13 5.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.401 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -151.62 -32.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.717 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.661 ' HD2' HD21 ' A' ' 124' ' ' LEU . 90.3 m-85 -125.92 74.02 1.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 66.6 t30 73.13 -26.41 0.19 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.426 0.632 . . . . 0.0 110.866 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 127' ' ' TYR . 60.9 m . . . . . 0 C--O 1.248 0.989 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 404' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.521 -0.724 0 O4'-C4'-C3' 104.213 -1.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 405' ' ' ' DA' . . . . . 0.451 " H2'" " O4'" ' B' ' 406' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C4'-C3' 104.169 -1.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 406' ' ' ' DT' . . . . . 0.451 " O4'" " H2'" ' B' ' 405' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C4'-C3' 103.985 -1.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 407' ' ' ' DT' . . . . . 0.579 " C5'" ' HB3' ' A' ' 105' ' ' PRO . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C4'-C3' 104.109 -1.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 408' ' ' ' DT' . . . . . 0.44 ' OP2' HG22 ' A' ' 95' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C4'-C3' 104.037 -1.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 409' ' ' ' DA' . . . . . 0.484 " H2'" " O4'" ' B' ' 410' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C4'-C3' 104.238 -1.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 410' ' ' ' DG' . . . . . 0.484 " O4'" " H2'" ' B' ' 409' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 103.936 -1.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 411' ' ' ' DC' . . . . . 0.51 " H2'" " O4'" ' B' ' 412' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.09 0 O4'-C4'-C3' 104.218 -1.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 412' ' ' ' DA' . . . . . 0.554 ' C2 ' ' C4 ' ' B' ' 413' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C4'-C3' 104.121 -1.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 413' ' ' ' DA' . . . . . 0.562 ' C2 ' ' C4 ' ' B' ' 414' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C4'-C3' 104.315 -1.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 414' ' ' ' DA' . . . . . 0.788 " H2'" " O4'" ' B' ' 415' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C4'-C3' 104.298 -1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 415' ' ' ' DA' . . . . . 0.798 " H2'" " O4'" ' B' ' 416' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C4'-C3' 104.265 -1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 416' ' ' ' DC' . . . . . 0.798 " O4'" " H2'" ' B' ' 415' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C4'-C3' 104.108 -1.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 417' ' ' ' DG' . . . . . 0.575 " H2'" " O4'" ' B' ' 418' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C4'-C3' 104.164 -1.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 418' ' ' ' DT' . . . . . 0.575 " O4'" " H2'" ' B' ' 417' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C4'-C3' 103.858 -1.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 419' ' ' ' DG' . . . . . 0.793 " H2'" " O4'" ' B' ' 420' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C4'-C3' 104.201 -1.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 420' ' ' ' DG' . . . . . 0.793 " O4'" " H2'" ' B' ' 419' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O4'-C4'-C3' 104.168 -1.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 421' ' ' ' DC' . . . . . 0.442 ' C2 ' ' C2 ' ' B' ' 420' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C4'-C3' 104.161 -1.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 422' ' ' ' DA' . . . . . 0.533 " H2'" " O4'" ' B' ' 423' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C4'-C3' 104.184 -1.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 423' ' ' ' DT' . . . . . 0.533 " O4'" " H2'" ' B' ' 422' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C4'-C3' 104.063 -1.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 428' ' ' ' DA' . . . . . 0.42 ' C2 ' ' C2 ' ' C' ' 429' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.177 0 O4'-C1'-C2' 107.538 1.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 429' ' ' ' DT' . . . . . 0.42 ' C2 ' ' C2 ' ' C' ' 428' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C4'-C3' 104.266 -1.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 430' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.653 1.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 431' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 O4'-C4'-C3' 104.141 -1.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 432' ' ' ' DC' . . . . . 0.416 " H2'" ' C8 ' ' C' ' 433' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C4'-C3' 104.228 -1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 433' ' ' ' DA' . . . . . 0.57 " H2'" ' C6 ' ' C' ' 434' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C4'-C3' 104.146 -1.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 434' ' ' ' DC' . . . . . 0.57 ' C6 ' " H2'" ' C' ' 433' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C4'-C3' 104.279 -1.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 435' ' ' ' DG' . . . . . 0.561 " O4'" " H2'" ' C' ' 434' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C4'-C3' 103.988 -1.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 436' ' ' ' DT' . . . . . 0.479 " H2'" ' C6 ' ' C' ' 437' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C4'-C3' 104.185 -1.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 437' ' ' ' DT' . . . . . 0.74 " H2'" " O4'" ' C' ' 438' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C4'-C3' 104.228 -1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 438' ' ' ' DT' . . . . . 0.74 " O4'" " H2'" ' C' ' 437' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C4'-C3' 104.138 -1.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 439' ' ' ' DT' . . . . . 0.611 " H2'" ' C8 ' ' C' ' 440' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.072 0 O4'-C4'-C3' 104.132 -1.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 440' ' ' ' DG' . . . . . 0.611 ' C8 ' " H2'" ' C' ' 439' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.042 0 O4'-C4'-C3' 103.95 -1.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 441' ' ' ' DC' . . . . . 0.49 " H2'" ' C6 ' ' C' ' 442' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C4'-C3' 103.992 -1.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 442' ' ' ' DT' . . . . . 0.712 " H2'" " O4'" ' C' ' 443' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.06 0 O4'-C4'-C3' 104.129 -1.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 443' ' ' ' DA' . . . . . 0.712 " O4'" " H2'" ' C' ' 442' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 104.086 -1.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 444' ' ' ' DA' . . . . . 0.5 ' C2 ' ' C4 ' ' C' ' 445' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 107.623 1.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 445' ' ' ' DA' . . . . . 0.5 ' C4 ' ' C2 ' ' C' ' 444' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C4'-C3' 104.168 -1.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 446' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 104.148 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 447' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 107.583 1.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 249' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 250' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' D' ' 253' ' ' LEU . 12.2 t70 -83.83 134.2 44.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.554 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 251' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.43 -32.35 80.77 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.305 2.67 . . . . 0.0 114.03 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 252' ' ' ILE . . . . . 0.814 ' HA ' ' HD3' ' D' ' 255' ' ' ARG . 9.2 pt -94.67 -17.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.596 -178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 253' ' ' LEU . . . . . 0.554 ' HB2' ' HB3' ' D' ' 250' ' ' ASP . 26.1 tp -67.68 -30.86 70.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.289 0.566 . . . . 0.0 110.154 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 254' ' ' LEU . . . . . . . . . . . . . 78.0 mt -99.09 29.87 3.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.342 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 255' ' ' ARG . . . . . 0.814 ' HD3' ' HA ' ' D' ' 252' ' ' ILE . 25.8 mtp180 -113.61 162.81 20.66 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.273 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 256' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' D' ' 276' ' ' HIS . 3.1 Cg_exo -75.63 141.55 25.01 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.137 1.891 . . . . 0.0 110.52 178.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 257' ' ' VAL . . . . . 0.768 HG12 HD13 ' D' ' 278' ' ' ILE . 17.0 m -60.74 -27.03 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.7 0.286 . . . . 0.0 111.358 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.4 -19.31 61.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 111.051 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 259' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -127.37 62.24 1.37 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.299 0.571 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 260' ' ' LEU . . . . . 0.682 HD23 HD11 ' D' ' 262' ' ' LEU . 20.3 tp -115.73 -10.06 11.83 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.88 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 261' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 62.36 73.59 0.46 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.087 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 262' ' ' LEU . . . . . 0.682 HD11 HD23 ' D' ' 260' ' ' LEU . 84.9 mt -120.33 -138.34 0.33 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.132 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 263' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -164.56 1.04 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 264' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 21' ' ' GLU . 3.3 t -81.2 -65.2 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 265' ' ' ARG . . . . . 0.607 ' HG3' ' HA ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -86.03 83.81 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 266' ' ' SER . . . . . . . . . . . . . 3.5 p -168.82 -71.54 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.012 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 267' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.07 99.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.259 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 268' ' ' ASN . . . . . 0.454 ' O ' ' HG3' ' D' ' 271' ' ' LYS . 17.0 t30 -70.76 -37.42 73.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.006 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 269' ' ' CYS . . . . . 0.561 ' SG ' ' HG2' ' D' ' 265' ' ' ARG . 0.0 OUTLIER -73.91 -31.73 63.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.668 0.271 . . . . 0.0 111.656 -179.508 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 270' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.61 -39.1 93.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 271' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' D' ' 275' ' ' ILE . 0.0 OUTLIER -75.27 -1.39 23.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.651 -179.03 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 272' ' ' ALA . . . . . . . . . . . . . . . -96.52 -1.73 46.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.201 0.524 . . . . 0.0 110.349 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.34 33.23 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 274' ' ' ALA . . . . . . . . . . . . . . . 64.91 21.03 12.27 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.374 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 275' ' ' ILE . . . . . 0.677 HG23 ' HB3' ' D' ' 280' ' ' ASP . 14.0 mt -109.05 102.23 13.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.962 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 276' ' ' HIS . . . . . 0.444 ' O ' ' HA ' ' D' ' 256' ' ' PRO . 1.9 p-80 -113.17 9.03 18.41 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.501 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 277' ' ' TYR . . . . . 0.443 ' HD1' ' O ' ' D' ' 276' ' ' HIS . 0.1 OUTLIER -144.29 140.96 29.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.823 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 278' ' ' ILE . . . . . 0.768 HD13 HG12 ' D' ' 257' ' ' VAL . 20.2 mm -62.41 -25.72 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 279' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.72 62.69 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.037 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 280' ' ' ASP . . . . . 0.677 ' HB3' HG23 ' D' ' 275' ' ' ILE . 7.7 t0 -79.17 -34.85 42.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 0.0 109.733 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 281' ' ' LEU . . . . . . . . . . . . . 45.0 tp -63.38 -40.32 96.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.946 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 282' ' ' VAL . . . . . 0.545 HG11 HD13 ' D' ' 312' ' ' LEU . 5.7 m -69.21 -17.82 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 111.708 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 283' ' ' GLN . . . . . 0.616 ' HA ' ' HA2' ' D' ' 315' ' ' GLY . 44.9 mt-30 -107.72 9.27 29.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.217 0.532 . . . . 0.0 110.016 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 284' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -96.24 138.5 33.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.418 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 285' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.05 112.03 18.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.2 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 286' ' ' GLU . . . . . 0.596 ' HG3' HD11 ' D' ' 314' ' ' LEU . 55.2 mt-10 -56.42 -37.47 70.24 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.539 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 287' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' D' ' 291' ' ' LYS . 20.9 m -57.88 -23.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 288' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -104.67 -41.37 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.079 0.466 . . . . 0.0 110.039 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 289' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.57 -43.67 98.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.335 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 290' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' D' ' 286' ' ' GLU . 3.8 mm? -79.53 -2.46 42.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.747 0.308 . . . . 0.0 111.28 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 291' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' D' ' 287' ' ' VAL . 8.3 mtmm -99.2 -9.43 23.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.813 0.34 . . . . 0.0 110.355 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 292' ' ' THR . . . . . . . . . . . . . 2.6 m -58.51 137.45 85.83 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.516 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 293' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.75 66.21 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.928 2.418 . . . . 0.0 113.385 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 294' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 176.33 -47.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.522 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 295' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.17 135.65 57.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.096 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 296' ' ' GLY . . . . . . . . . . . . . . . -101.92 150.64 18.33 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.91 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 297' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.33 -22.02 65.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.759 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 298' ' ' LYS . . . . . 0.472 ' HD3' HH22 ' D' ' 265' ' ' ARG . 50.6 tttm -71.64 -17.77 62.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.767 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 299' ' ' SER . . . . . . . . . . . . . 2.0 m -80.94 -21.7 40.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 300' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.25 -36.52 75.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.214 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 301' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -43.73 92.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.574 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 302' ' ' GLU . . . . . 0.406 ' O ' HG23 ' D' ' 306' ' ' VAL . 1.9 mp0 -74.52 -42.1 59.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 110.981 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 303' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.33 -49.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 304' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' D' ' 304' ' ' LYS . 21.8 ttmm -64.05 -29.92 71.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 305' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.59 -45.11 94.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.69 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 306' ' ' VAL . . . . . 0.48 ' O ' ' HB2' ' D' ' 310' ' ' ARG . 40.4 t -60.48 -46.27 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.161 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 307' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' D' ' 312' ' ' LEU . 4.1 mp -67.17 -47.92 69.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.533 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 308' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.63 89.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 309' ' ' SER . . . . . . . . . . . . . 6.1 m -71.85 -9.13 57.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 310' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' D' ' 306' ' ' VAL . 0.0 OUTLIER -110.27 -2.78 16.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.796 0.331 . . . . 0.0 111.21 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 311' ' ' GLY . . . . . . . . . . . . . . . 72.15 38.44 59.26 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.414 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 312' ' ' LEU . . . . . 0.545 HD13 HG11 ' D' ' 282' ' ' VAL . 8.2 mt -109.12 140.59 42.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 313' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.13 164.44 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 111.199 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 314' ' ' LEU . . . . . 0.596 HD11 ' HG3' ' D' ' 286' ' ' GLU . 0.5 OUTLIER -64.45 110.87 2.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.687 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 315' ' ' GLY . . . . . 0.616 ' HA2' ' HA ' ' D' ' 283' ' ' GLN . . . 75.26 30.89 58.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.543 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 316' ' ' MET . . . . . 0.422 ' O ' ' HG2' ' D' ' 283' ' ' GLN . 17.0 ttp -71.52 109.58 5.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.774 0.321 . . . . 0.0 110.315 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 317' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' D' ' 317' ' ' ARG . 0.0 OUTLIER -62.81 123.52 18.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.624 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 318' ' ' LEU . . . . . . . . . . . . . 14.1 mt -93.58 138.38 31.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.112 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 319' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.08 -42.87 79.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 320' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -153.7 123.19 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.005 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 321' ' ' TRP . . . . . 0.67 ' H ' ' CD ' ' D' ' 322' ' ' PRO . 31.4 p-90 -134.67 -36.09 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 322' ' ' PRO . . . . . 0.67 ' CD ' ' H ' ' D' ' 321' ' ' TRP . 90.6 Cg_endo -84.56 116.9 2.0 Favored 'Trans proline' 0 C--N 1.364 1.389 0 C-N-CA 121.676 1.584 . . . . 0.0 112.395 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 323' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' D' ' 326' ' ' ILE . 84.9 Cg_endo -81.03 -155.06 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.0 2.466 . . . . 0.0 112.382 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.41 -57.9 3.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.35 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 325' ' ' SER . . . . . . . . . . . . . 6.6 m -92.44 107.77 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.119 0.485 . . . . 0.0 111.486 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 326' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' D' ' 323' ' ' PRO . 0.7 OUTLIER -138.88 103.49 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.228 178.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' D' D ' 327' ' ' ALA . . . . . . . . . . . . . . . -126.07 -175.02 3.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.823 0.345 . . . . 0.0 111.076 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 328' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.28 178.79 4.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.804 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 329' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.019 -179.048 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.575 0.226 . . . . 0.0 110.489 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.3 m 61.65 64.33 1.05 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.389 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' MET . . . . . . . . . . . . . 8.2 ttt -133.62 -60.21 0.84 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.996 179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 m 60.19 38.24 20.25 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.014 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.4 mmt85 -132.59 -64.8 0.74 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.82 -179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -124.38 161.21 26.45 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.086 0.469 . . . . 0.0 111.046 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 51.9 t30 -109.79 149.22 30.13 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.764 179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -34.86 77.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.214 0.53 . . . . 0.0 111.012 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.53 -12.76 60.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.319 179.202 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -92.35 -44.46 8.7 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.271 -179.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 8.1 tp -59.05 -33.73 51.1 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.405 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.448 HG23 HG12 ' A' ' 13' ' ' ILE . 9.7 t -70.49 -15.91 62.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.686 0.279 . . . . 0.0 111.351 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.678 HD11 ' HB3' ' A' ' 47' ' ' MET . 36.7 mm -111.43 -15.73 9.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.548 0.69 . . . . 0.0 109.912 179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -79.6 31.61 0.24 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.841 -179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 13' ' ' ILE . 25.3 m -147.8 21.31 1.14 Allowed 'General case' 0 C--N 1.317 -0.816 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.444 ' O ' HG12 ' A' ' 20' ' ' ILE . 32.6 mm -115.16 -38.68 2.59 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.174 0 CA-C-N 114.935 -1.029 . . . . 0.0 110.533 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -59.17 -49.5 77.61 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-O 121.16 0.505 . . . . 0.0 110.278 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.45 ' HA ' HG12 ' D' ' 264' ' ' VAL . 10.1 p-10 -65.23 -33.66 76.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.695 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.608 ' HZ3' ' HB3' ' A' ' 29' ' ' SER . 63.8 t90 -63.52 -47.17 82.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.906 0.384 . . . . 0.0 110.024 179.433 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.675 HG22 HD23 ' A' ' 24' ' ' LEU . 47.7 mm -62.38 -51.02 77.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.367 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.679 ' HG3' ' HB3' ' A' ' 123' ' ' PRO . 56.0 mm-40 -54.65 -39.36 67.93 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -178.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.534 ' HB2' ' HB ' ' D' ' 264' ' ' VAL . 1.3 t70 -88.23 7.36 32.38 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.63 0.252 . . . . 0.0 111.305 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -136.35 16.42 3.19 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -178.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.675 HD23 HG22 ' A' ' 20' ' ' ILE . 4.1 pp -110.08 -2.45 16.97 Favored 'General case' 0 C--N 1.329 -0.283 0 O-C-N 121.844 -0.535 . . . . 0.0 112.325 -179.373 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -72.31 -27.75 62.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.783 0.325 . . . . 0.0 111.286 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.764 ' HB2' ' HD3' ' A' ' 27' ' ' PRO . 7.0 m -133.15 -57.02 0.02 OUTLIER Pre-proline 0 CA--C 1.541 0.623 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.841 179.652 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.764 ' HD3' ' HB2' ' A' ' 26' ' ' SER . 13.7 Cg_exo -71.77 169.22 21.69 Favored 'Trans proline' 0 C--N 1.352 0.758 0 C-N-CA 122.175 1.916 . . . . 0.0 111.779 179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.452 ' HA ' ' NZ ' ' A' ' 64' ' ' LYS . 5.5 mp -80.58 -48.91 12.02 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 179.437 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.608 ' HB3' ' HZ3' ' A' ' 19' ' ' TRP . 8.7 m 52.0 62.79 2.52 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 113.595 0.961 . . . . 0.0 113.595 178.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.434 ' H ' HD23 ' A' ' 30' ' ' LEU . 0.6 OUTLIER -93.84 -167.87 1.77 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 178.105 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.655 ' HG2' ' HG3' ' A' ' 45' ' ' GLN . 10.8 mp0 -55.07 -40.99 70.95 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.804 0.335 . . . . 0.0 111.713 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 35' ' ' GLU . 0.0 OUTLIER -65.93 -30.95 71.61 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.272 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.52 HG12 ' HH2' ' A' ' 19' ' ' TRP . 39.2 t -81.47 -34.16 12.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-O 121.35 0.595 . . . . 0.0 109.489 179.673 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 9.1 m -78.96 -2.15 38.71 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.624 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.45 ' HB2' ' O ' ' A' ' 32' ' ' LYS . 2.0 tt0 -60.71 -33.88 73.53 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.51 179.499 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -83.27 -3.25 57.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.787 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 11.4 m -116.96 13.19 14.84 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.777 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -169.66 -105.58 0.18 Allowed Glycine 0 N--CA 1.445 -0.74 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.738 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' TYR . . . . . . . . . . . . . 82.0 m-85 -139.49 -177.23 4.84 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 110.121 -0.325 . . . . 0.0 110.121 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.415 ' HA ' ' HG2' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -55.76 144.09 28.64 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 123.673 0.608 . . . . 0.0 111.089 179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.538 ' HG3' ' H ' ' A' ' 42' ' ' TRP . 8.0 ptpp? -40.64 -58.31 1.65 Allowed 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.538 ' H ' ' HG3' ' A' ' 41' ' ' LYS . 5.6 m-90 -59.62 -26.72 65.71 Favored 'General case' 0 N--CA 1.466 0.355 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -178.08 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -90.24 -40.98 11.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 121.938 -0.476 . . . . 0.0 110.225 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 24.0 tp -64.95 -39.01 92.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.596 -179.584 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLN . . . . . 0.655 ' HG3' ' HG2' ' A' ' 31' ' ' GLU . 72.6 mt-30 -58.99 -45.06 91.58 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.842 0.353 . . . . 0.0 110.442 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.7 ttm180 -63.04 -45.51 91.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.813 -0.63 . . . . 0.0 110.916 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.678 ' HB3' HD11 ' A' ' 13' ' ' ILE . 94.9 mtp -67.09 -41.43 86.33 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.24 -179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 36.9 t80 -65.16 -44.3 88.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.548 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.2 tptt -65.06 -36.13 83.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.993 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 15.2 pttp -83.24 -0.02 47.6 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.77 0.319 . . . . 0.0 111.826 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.592 ' HG3' ' HB ' ' A' ' 13' ' ' ILE . 0.9 OUTLIER -112.74 -59.03 2.07 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.869 0.366 . . . . 0.0 110.794 179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 125' ' ' ASN . 70.6 p -76.72 -39.75 50.9 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 121.005 0.431 . . . . 0.0 111.299 -179.146 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 110.59 -19.61 26.02 Favored Glycine 0 N--CA 1.447 -0.606 0 N-CA-C 111.424 -0.67 . . . . 0.0 111.424 -179.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HIS . . . . . . . . . . . . . 24.0 m80 -112.01 163.97 13.66 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.757 0.313 . . . . 0.0 110.293 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.402 ' HB3' ' OP1' ' B' ' 417' ' ' ' DG' . 1.4 m -79.83 149.87 30.86 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.833 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.616 HD13 ' HG3' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -62.48 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 111.707 0.262 . . . . 0.0 111.707 -178.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.8 -31.32 46.18 Favored Glycine 0 C--N 1.335 0.51 0 C-N-CA 121.397 -0.43 . . . . 0.0 112.93 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -69.27 -45.11 70.46 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.325 0.584 . . . . 0.0 109.527 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.531 ' CE1' ' HB2' ' A' ' 125' ' ' ASN . 61.6 t80 -60.92 -44.74 96.78 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.291 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ILE . . . . . 0.57 HG12 ' O ' ' A' ' 56' ' ' LEU . 20.1 mm -53.61 -52.81 30.16 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.186 0 CA-C-O 121.077 0.465 . . . . 0.0 111.007 -179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 61' ' ' ARG . 33.9 mtm180 -63.25 -44.15 95.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.234 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.511 ' O ' HG22 ' A' ' 66' ' ' THR . 34.1 m -58.48 -46.8 85.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.801 -179.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -69.26 -41.76 76.48 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.78 -0.191 . . . . 0.0 111.49 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.452 ' NZ ' ' HA ' ' A' ' 28' ' ' LEU . 73.4 mttt -63.19 -38.75 92.41 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.974 -0.29 . . . . 0.0 110.756 179.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.417 ' HA ' ' CE ' ' A' ' 65' ' ' MET . 17.0 mmt -59.22 -54.11 50.67 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.308 -179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.511 HG22 ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -65.09 -34.41 78.34 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.984 -0.286 . . . . 0.0 111.326 -179.734 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.466 ' HB3' ' OH ' ' A' ' 86' ' ' TYR . 46.6 mm-40 -63.41 -43.45 97.45 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.918 0.389 . . . . 0.0 110.34 179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 91.4 mt -68.69 -39.32 80.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.192 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.9 -41.93 83.65 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.064 179.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 66' ' ' THR . 29.6 mt-30 -64.81 -40.82 95.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.318 179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -73.86 -9.01 58.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.806 -0.633 . . . . 0.0 111.092 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' O ' ' HD3' ' A' ' 110' ' ' ARG . 22.5 mt -92.98 -24.18 18.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.2 mtpm? -99.56 -54.03 3.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.462 -179.69 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.53 -50.01 28.79 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.615 -0.266 . . . . 0.0 110.545 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -93.44 171.7 8.74 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.095 -0.335 . . . . 0.0 110.095 179.21 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 59.7 t30 -121.55 22.07 10.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.3 0.572 . . . . 0.0 109.714 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.406 ' HA ' ' HD2' ' A' ' 78' ' ' PRO . 60.3 mt-10 -60.38 128.31 87.73 Favored Pre-proline 0 C--O 1.235 0.31 0 CA-C-N 115.393 -0.821 . . . . 0.0 109.992 179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.506 ' HG2' ' CB ' ' A' ' 81' ' ' TYR . 6.8 Cg_endo -50.11 142.85 26.74 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.614 2.876 . . . . 0.0 112.892 -179.444 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.408 HD12 H5'' ' B' ' 406' ' ' ' DT' . 28.9 mt -59.85 -43.63 92.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.815 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -39.09 89.32 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.166 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . 0.506 ' CB ' ' HG2' ' A' ' 78' ' ' PRO . 76.0 t80 -67.22 -50.3 61.32 Favored 'General case' 0 CA--C 1.518 -0.26 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.866 179.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 56.1 mt -56.46 -40.8 75.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.596 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -61.64 -58.96 6.01 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.921 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -59.83 -36.88 77.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.047 -179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.601 ' O ' ' HA ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -66.21 -43.47 86.64 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.432 -179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.466 ' OH ' ' HB3' ' A' ' 67' ' ' GLU . 7.1 m-85 -79.59 -4.03 49.71 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 113.078 0.77 . . . . 0.0 113.078 -178.238 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 105.21 8.66 35.54 Favored Glycine 0 CA--C 1.516 0.133 0 C-N-CA 119.98 -1.105 . . . . 0.0 114.29 177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 80.2 m-85 -81.54 138.21 35.45 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.257 0.528 . . . . 0.0 109.885 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 -64.54 -33.24 75.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.94 -179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 4.2 p -155.35 161.5 41.04 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.521 0.2 . . . . 0.0 111.471 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 -61.95 -38.35 88.14 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.677 -0.49 . . . . 0.0 109.677 178.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 22.1 mp0 -55.88 -39.81 72.07 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.232 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 90.5 m -62.77 -49.16 76.08 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.5 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 28.4 tp -60.16 -41.07 92.0 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.163 179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.453 HG23 ' HD2' ' A' ' 106' ' ' PRO . 12.9 m -60.33 -37.73 81.55 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.418 179.598 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -68.14 -49.08 63.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.633 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -61.27 -46.33 90.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.215 -179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -62.24 -44.09 97.34 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.195 -179.342 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.506 ' O ' ' HA ' ' A' ' 103' ' ' ASP . 28.5 tptp -67.59 -32.45 73.2 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.393 -179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -88.58 8.67 27.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 121.005 0.431 . . . . 0.0 111.418 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -123.73 -58.79 1.57 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.715 179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.411 ' CE2' ' HB3' ' A' ' 65' ' ' MET . 83.8 m-85 -91.96 -13.61 30.82 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.996 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' A' ' 99' ' ' LYS . 3.5 m-20 71.87 -0.57 3.15 Favored 'General case' 0 N--CA 1.47 0.532 0 O-C-N 123.973 0.796 . . . . 0.0 111.65 179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.456 ' HB ' ' HD1' ' A' ' 109' ' ' TYR . 58.4 t -118.19 131.85 24.01 Favored Pre-proline 0 C--N 1.322 -0.61 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PRO . . . . . 0.579 ' HB3' " C5'" ' B' ' 407' ' ' ' DT' . 51.5 Cg_exo -56.4 138.93 85.79 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.666 2.244 . . . . 0.0 111.839 179.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.453 ' HD2' HG23 ' A' ' 95' ' ' THR . 77.7 Cg_exo -48.37 -43.88 31.08 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 123.403 2.735 . . . . 0.0 113.646 -179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 11.1 t-80 -68.83 -36.67 78.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.155 -179.295 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -73.39 -37.24 66.04 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 110.221 -0.289 . . . . 0.0 110.221 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.456 ' HD1' ' HB ' ' A' ' 104' ' ' VAL . 4.5 t80 -59.8 -30.98 69.27 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 121.311 0.577 . . . . 0.0 110.264 179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.493 ' HD3' ' O ' ' A' ' 72' ' ' LEU . 0.0 OUTLIER -69.6 -30.86 68.7 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.821 179.452 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 111' ' ' MET . 1.1 mmt -98.51 -14.4 20.02 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.446 0.535 . . . . 0.0 112.446 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' THR . . . . . 0.43 ' OG1' ' HA ' ' A' ' 109' ' ' TYR . 7.8 p -76.77 109.33 10.46 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.947 0.403 . . . . 0.0 110.912 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 20.5 m-80 -82.73 -23.83 33.83 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.52 -179.716 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' MET . . . . . . . . . . . . . 40.9 ttm -76.32 -23.38 54.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.794 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -75.47 134.3 40.87 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.23 -0.441 . . . . 0.0 109.823 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . . . . . . . . . . . -132.84 -136.17 3.73 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.313 -0.946 . . . . 0.0 113.108 -179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.455 ' HG3' ' HB2' ' A' ' 120' ' ' PHE . 1.0 OUTLIER -84.62 76.29 10.2 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.138 0.494 . . . . 0.0 110.654 -179.441 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 m -119.75 125.64 49.11 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.858 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 68.32 27.84 6.42 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 121.423 0.63 . . . . 0.0 109.94 -179.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' PHE . . . . . 0.455 ' HB2' ' HG3' ' A' ' 117' ' ' GLU . 3.3 m-85 -92.79 99.43 12.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.89 -179.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LEU . . . . . . . . . . . . . 13.0 tp -76.46 132.9 39.89 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.038 -0.727 . . . . 0.0 109.038 178.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -95.4 164.28 19.46 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.584 -0.28 . . . . 0.0 110.938 -178.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PRO . . . . . 0.679 ' HB3' ' HG3' ' A' ' 21' ' ' GLU . 13.8 Cg_exo -72.21 35.93 0.32 Allowed 'Trans proline' 0 C--N 1.35 0.652 0 C-N-CA 123.407 2.738 . . . . 0.0 113.124 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . 0.661 HD21 ' HD2' ' A' ' 127' ' ' TYR . 60.5 tp -107.91 -54.14 2.53 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 179.266 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.531 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 60.3 t30 48.55 58.13 5.55 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.096 -0.956 . . . . 0.0 111.401 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' HIS . . . . . . . . . . . . . 11.6 m80 -151.62 -32.25 0.15 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.299 -0.409 . . . . 0.0 111.717 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.661 ' HD2' HD21 ' A' ' 124' ' ' LEU . 90.3 m-85 -125.92 74.02 1.39 Allowed 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 -179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASN . . . . . . . . . . . . . 66.6 t30 73.13 -26.41 0.19 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-O 121.426 0.632 . . . . 0.0 110.866 -179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . 0.519 ' H ' ' C ' ' A' ' 127' ' ' TYR . 60.9 m . . . . . 0 C--O 1.248 0.989 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 404' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.521 -0.724 0 O4'-C4'-C3' 104.213 -1.387 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 405' ' ' ' DA' . . . . . 0.451 " H2'" " O4'" ' B' ' 406' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C4'-C3' 104.169 -1.431 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 406' ' ' ' DT' . . . . . 0.451 " O4'" " H2'" ' B' ' 405' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.972 0 O4'-C4'-C3' 103.985 -1.615 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 407' ' ' ' DT' . . . . . 0.579 " C5'" ' HB3' ' A' ' 105' ' ' PRO . . . . . . . . 0 O5'--C5' 1.423 -1.045 0 O4'-C4'-C3' 104.109 -1.491 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 408' ' ' ' DT' . . . . . 0.44 ' OP2' HG22 ' A' ' 95' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -1.022 0 O4'-C4'-C3' 104.037 -1.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 409' ' ' ' DA' . . . . . 0.484 " H2'" " O4'" ' B' ' 410' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.906 0 O4'-C4'-C3' 104.238 -1.362 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 410' ' ' ' DG' . . . . . 0.484 " O4'" " H2'" ' B' ' 409' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.988 0 O4'-C4'-C3' 103.936 -1.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 411' ' ' ' DC' . . . . . 0.51 " H2'" " O4'" ' B' ' 412' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.09 0 O4'-C4'-C3' 104.218 -1.382 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 412' ' ' ' DA' . . . . . 0.554 ' C2 ' ' C4 ' ' B' ' 413' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.958 0 O4'-C4'-C3' 104.121 -1.479 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 413' ' ' ' DA' . . . . . 0.562 ' C2 ' ' C4 ' ' B' ' 414' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.926 0 O4'-C4'-C3' 104.315 -1.285 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 414' ' ' ' DA' . . . . . 0.788 " H2'" " O4'" ' B' ' 415' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C4'-C3' 104.298 -1.302 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 415' ' ' ' DA' . . . . . 0.798 " H2'" " O4'" ' B' ' 416' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 O4'-C4'-C3' 104.265 -1.335 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 416' ' ' ' DC' . . . . . 0.798 " O4'" " H2'" ' B' ' 415' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.924 0 O4'-C4'-C3' 104.108 -1.492 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 417' ' ' ' DG' . . . . . 0.575 " H2'" " O4'" ' B' ' 418' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C4'-C3' 104.164 -1.436 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 418' ' ' ' DT' . . . . . 0.575 " O4'" " H2'" ' B' ' 417' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 O4'-C4'-C3' 103.858 -1.742 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 419' ' ' ' DG' . . . . . 0.793 " H2'" " O4'" ' B' ' 420' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.832 0 O4'-C4'-C3' 104.201 -1.399 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 420' ' ' ' DG' . . . . . 0.793 " O4'" " H2'" ' B' ' 419' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.942 0 O4'-C4'-C3' 104.168 -1.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 421' ' ' ' DC' . . . . . 0.442 ' C2 ' ' C2 ' ' B' ' 420' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.883 0 O4'-C4'-C3' 104.161 -1.439 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 422' ' ' ' DA' . . . . . 0.533 " H2'" " O4'" ' B' ' 423' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.424 -0.98 0 O4'-C4'-C3' 104.184 -1.416 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 423' ' ' ' DT' . . . . . 0.533 " O4'" " H2'" ' B' ' 422' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.892 0 O4'-C4'-C3' 104.063 -1.537 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 428' ' ' ' DA' . . . . . 0.42 ' C2 ' ' C2 ' ' C' ' 429' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.421 -1.177 0 O4'-C1'-C2' 107.538 1.307 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 429' ' ' ' DT' . . . . . 0.42 ' C2 ' ' C2 ' ' C' ' 428' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 O4'-C4'-C3' 104.266 -1.334 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 430' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 O4'-C1'-C2' 107.653 1.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 431' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.998 0 O4'-C4'-C3' 104.141 -1.459 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 432' ' ' ' DC' . . . . . 0.416 " H2'" ' C8 ' ' C' ' 433' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C4'-C3' 104.228 -1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 433' ' ' ' DA' . . . . . 0.57 " H2'" ' C6 ' ' C' ' 434' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C4'-C3' 104.146 -1.454 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 434' ' ' ' DC' . . . . . 0.57 ' C6 ' " H2'" ' C' ' 433' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.989 0 O4'-C4'-C3' 104.279 -1.321 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 435' ' ' ' DG' . . . . . 0.561 " O4'" " H2'" ' C' ' 434' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.978 0 O4'-C4'-C3' 103.988 -1.612 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 436' ' ' ' DT' . . . . . 0.479 " H2'" ' C6 ' ' C' ' 437' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 O4'-C4'-C3' 104.185 -1.415 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 437' ' ' ' DT' . . . . . 0.74 " H2'" " O4'" ' C' ' 438' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.938 0 O4'-C4'-C3' 104.228 -1.372 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 438' ' ' ' DT' . . . . . 0.74 " O4'" " H2'" ' C' ' 437' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.955 0 O4'-C4'-C3' 104.138 -1.462 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 439' ' ' ' DT' . . . . . 0.611 " H2'" ' C8 ' ' C' ' 440' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.423 -1.072 0 O4'-C4'-C3' 104.132 -1.468 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 440' ' ' ' DG' . . . . . 0.611 ' C8 ' " H2'" ' C' ' 439' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.423 -1.042 0 O4'-C4'-C3' 103.95 -1.65 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 441' ' ' ' DC' . . . . . 0.49 " H2'" ' C6 ' ' C' ' 442' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.961 0 O4'-C4'-C3' 103.992 -1.608 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 442' ' ' ' DT' . . . . . 0.712 " H2'" " O4'" ' C' ' 443' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.423 -1.06 0 O4'-C4'-C3' 104.129 -1.471 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 443' ' ' ' DA' . . . . . 0.712 " O4'" " H2'" ' C' ' 442' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.935 0 O4'-C4'-C3' 104.086 -1.514 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 444' ' ' ' DA' . . . . . 0.5 ' C2 ' ' C4 ' ' C' ' 445' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.984 0 O4'-C1'-C2' 107.623 1.385 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 445' ' ' ' DA' . . . . . 0.5 ' C4 ' ' C2 ' ' C' ' 444' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 O4'-C4'-C3' 104.168 -1.432 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 446' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.871 0 O4'-C4'-C3' 104.148 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 447' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.868 0 O4'-C1'-C2' 107.583 1.348 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 249' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.478 0.974 0 N-CA-C 110.017 -0.364 . . . . 0.0 110.017 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 250' ' ' ASP . . . . . 0.554 ' HB3' ' HB2' ' D' ' 253' ' ' LEU . 12.2 t70 -83.83 134.2 44.75 Favored Pre-proline 0 C--N 1.325 -0.468 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.554 179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 251' ' ' PRO . . . . . . . . . . . . . 28.4 Cg_endo -62.43 -32.35 80.77 Favored 'Trans proline' 0 CA--C 1.531 0.334 0 C-N-CA 123.305 2.67 . . . . 0.0 114.03 -178.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 252' ' ' ILE . . . . . 0.814 ' HA ' ' HD3' ' D' ' 255' ' ' ARG . 9.2 pt -94.67 -17.28 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.229 -0.588 . . . . 0.0 111.596 -178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 253' ' ' LEU . . . . . 0.554 ' HB2' ' HB3' ' D' ' 250' ' ' ASP . 26.1 tp -67.68 -30.86 70.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.289 0.566 . . . . 0.0 110.154 179.543 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 254' ' ' LEU . . . . . . . . . . . . . 78.0 mt -99.09 29.87 3.68 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.342 179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 255' ' ' ARG . . . . . 0.814 ' HD3' ' HA ' ' D' ' 252' ' ' ILE . 25.8 mtp180 -113.61 162.81 20.66 Favored Pre-proline 0 C--N 1.323 -0.566 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.273 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 256' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' D' ' 276' ' ' HIS . 3.1 Cg_exo -75.63 141.55 25.01 Favored 'Trans proline' 0 N--CA 1.456 -0.689 0 C-N-CA 122.137 1.891 . . . . 0.0 110.52 178.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 257' ' ' VAL . . . . . 0.768 HG12 HD13 ' D' ' 278' ' ' ILE . 17.0 m -60.74 -27.03 40.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.7 0.286 . . . . 0.0 111.358 -179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 258' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -72.4 -19.31 61.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.118 0.485 . . . . 0.0 111.051 -179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 259' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -127.37 62.24 1.37 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.299 0.571 . . . . 0.0 109.851 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 260' ' ' LEU . . . . . 0.682 HD23 HD11 ' D' ' 262' ' ' LEU . 20.3 tp -115.73 -10.06 11.83 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.88 179.664 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 261' ' ' GLU . . . . . . . . . . . . . 26.0 mt-10 62.36 73.59 0.46 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.087 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 262' ' ' LEU . . . . . 0.682 HD11 HD23 ' D' ' 260' ' ' LEU . 84.9 mt -120.33 -138.34 0.33 Allowed 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.132 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 263' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -85.76 -164.56 1.04 Allowed 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.102 178.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 264' ' ' VAL . . . . . 0.607 HG11 ' HB2' ' A' ' 21' ' ' GLU . 3.3 t -81.2 -65.2 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 265' ' ' ARG . . . . . 0.607 ' HG3' ' HA ' ' A' ' 19' ' ' TRP . 0.7 OUTLIER -86.03 83.81 7.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.05 179.591 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 266' ' ' SER . . . . . . . . . . . . . 3.5 p -168.82 -71.54 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.012 179.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 267' ' ' ALA . . . . . . . . . . . . . . . -61.33 -43.07 99.5 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.515 -0.766 . . . . 0.0 112.259 -179.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 268' ' ' ASN . . . . . 0.454 ' O ' ' HG3' ' D' ' 271' ' ' LYS . 17.0 t30 -70.76 -37.42 73.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.07 -0.514 . . . . 0.0 112.006 -178.573 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 269' ' ' CYS . . . . . 0.561 ' SG ' ' HG2' ' D' ' 265' ' ' ARG . 0.0 OUTLIER -73.91 -31.73 63.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 120.668 0.271 . . . . 0.0 111.656 -179.508 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 270' ' ' LEU . . . . . . . . . . . . . 28.9 mt -63.61 -39.1 93.52 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.198 0.444 . . . . 0.0 112.198 -179.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 271' ' ' LYS . . . . . 0.578 ' HA ' ' O ' ' D' ' 275' ' ' ILE . 0.0 OUTLIER -75.27 -1.39 23.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.754 0.311 . . . . 0.0 111.651 -179.03 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 272' ' ' ALA . . . . . . . . . . . . . . . -96.52 -1.73 46.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.201 0.524 . . . . 0.0 110.349 179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 273' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -112.34 33.23 5.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.793 -0.639 . . . . 0.0 110.468 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 274' ' ' ALA . . . . . . . . . . . . . . . 64.91 21.03 12.27 Favored 'General case' 0 N--CA 1.467 0.385 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.374 -179.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 275' ' ' ILE . . . . . 0.677 HG23 ' HB3' ' D' ' 280' ' ' ASP . 14.0 mt -109.05 102.23 13.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.313 -0.403 . . . . 0.0 109.962 179.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 276' ' ' HIS . . . . . 0.444 ' O ' ' HA ' ' D' ' 256' ' ' PRO . 1.9 p-80 -113.17 9.03 18.41 Favored 'General case' 0 C--N 1.321 -0.64 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.501 179.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 277' ' ' TYR . . . . . 0.443 ' HD1' ' O ' ' D' ' 276' ' ' HIS . 0.1 OUTLIER -144.29 140.96 29.49 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.823 179.747 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 278' ' ' ILE . . . . . 0.768 HD13 HG12 ' D' ' 257' ' ' VAL . 20.2 mm -62.41 -25.72 38.57 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.315 0 CA-C-O 120.944 0.402 . . . . 0.0 110.918 -179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 279' ' ' GLY . . . . . . . . . . . . . . . -57.24 -31.72 62.69 Favored Glycine 0 CA--C 1.52 0.366 0 CA-C-N 115.956 -0.566 . . . . 0.0 113.037 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 280' ' ' ASP . . . . . 0.677 ' HB3' HG23 ' D' ' 275' ' ' ILE . 7.7 t0 -79.17 -34.85 42.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.396 0.617 . . . . 0.0 109.733 179.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 281' ' ' LEU . . . . . . . . . . . . . 45.0 tp -63.38 -40.32 96.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.152 -0.931 . . . . 0.0 111.946 -179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 282' ' ' VAL . . . . . 0.545 HG11 HD13 ' D' ' 312' ' ' LEU . 5.7 m -69.21 -17.82 22.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.84 0.353 . . . . 0.0 111.708 -179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 283' ' ' GLN . . . . . 0.616 ' HA ' ' HA2' ' D' ' 315' ' ' GLY . 44.9 mt-30 -107.72 9.27 29.16 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.217 0.532 . . . . 0.0 110.016 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 284' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -96.24 138.5 33.75 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.418 -179.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 285' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.05 112.03 18.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.2 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 286' ' ' GLU . . . . . 0.596 ' HG3' HD11 ' D' ' 314' ' ' LEU . 55.2 mt-10 -56.42 -37.47 70.24 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.539 -179.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 287' ' ' VAL . . . . . 0.467 ' O ' ' HG3' ' D' ' 291' ' ' LYS . 20.9 m -57.88 -23.27 20.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 288' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -104.67 -41.37 5.7 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.079 0.466 . . . . 0.0 110.039 179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 289' ' ' LEU . . . . . . . . . . . . . 54.8 tp -61.57 -43.67 98.43 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.335 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 290' ' ' LEU . . . . . 0.456 HD23 ' HB3' ' D' ' 286' ' ' GLU . 3.8 mm? -79.53 -2.46 42.35 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.747 0.308 . . . . 0.0 111.28 -179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 291' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' D' ' 287' ' ' VAL . 8.3 mtmm -99.2 -9.43 23.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.813 0.34 . . . . 0.0 110.355 179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 292' ' ' THR . . . . . . . . . . . . . 2.6 m -58.51 137.45 85.83 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.516 179.107 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 293' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -64.75 66.21 0.27 Allowed 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 122.928 2.418 . . . . 0.0 113.385 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 294' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 176.33 -47.41 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.654 -0.703 . . . . 0.0 109.522 179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 295' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.17 135.65 57.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.096 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 296' ' ' GLY . . . . . . . . . . . . . . . -101.92 150.64 18.33 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.648 -0.787 . . . . 0.0 111.91 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 297' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -67.33 -22.02 65.62 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.929 0.395 . . . . 0.0 110.759 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 298' ' ' LYS . . . . . 0.472 ' HD3' HH22 ' D' ' 265' ' ' ARG . 50.6 tttm -71.64 -17.77 62.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.767 179.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 299' ' ' SER . . . . . . . . . . . . . 2.0 m -80.94 -21.7 40.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.869 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 300' ' ' LEU . . . . . . . . . . . . . 51.4 tp -59.25 -36.52 75.64 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.214 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 301' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.34 -43.73 92.72 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.574 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 302' ' ' GLU . . . . . 0.406 ' O ' HG23 ' D' ' 306' ' ' VAL . 1.9 mp0 -74.52 -42.1 59.49 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.798 0.332 . . . . 0.0 110.981 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 303' ' ' ILE . . . . . . . . . . . . . 92.0 mt -60.33 -49.69 83.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.92 0.39 . . . . 0.0 110.926 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 304' ' ' LYS . . . . . 0.403 ' HE2' ' HB2' ' D' ' 304' ' ' LYS . 21.8 ttmm -64.05 -29.92 71.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 305' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -62.59 -45.11 94.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.69 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 306' ' ' VAL . . . . . 0.48 ' O ' ' HB2' ' D' ' 310' ' ' ARG . 40.4 t -60.48 -46.27 95.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.161 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 307' ' ' LEU . . . . . 0.512 ' HA ' HD12 ' D' ' 312' ' ' LEU . 4.1 mp -67.17 -47.92 69.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.533 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 308' ' ' ALA . . . . . . . . . . . . . . . -61.24 -46.63 89.61 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 309' ' ' SER . . . . . . . . . . . . . 6.1 m -71.85 -9.13 57.87 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.107 0.41 . . . . 0.0 112.107 -178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 310' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' D' ' 306' ' ' VAL . 0.0 OUTLIER -110.27 -2.78 16.59 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.796 0.331 . . . . 0.0 111.21 -179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 311' ' ' GLY . . . . . . . . . . . . . . . 72.15 38.44 59.26 Favored Glycine 0 C--N 1.33 0.212 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.414 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 312' ' ' LEU . . . . . 0.545 HD13 HG11 ' D' ' 282' ' ' VAL . 8.2 mt -109.12 140.59 42.49 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.255 -0.276 . . . . 0.0 110.255 -179.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 313' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -95.13 164.44 12.87 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.884 0.373 . . . . 0.0 111.199 -179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 314' ' ' LEU . . . . . 0.596 HD11 ' HG3' ' D' ' 286' ' ' GLU . 0.5 OUTLIER -64.45 110.87 2.43 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.687 179.326 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 315' ' ' GLY . . . . . 0.616 ' HA2' ' HA ' ' D' ' 283' ' ' GLN . . . 75.26 30.89 58.08 Favored Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.543 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 316' ' ' MET . . . . . 0.422 ' O ' ' HG2' ' D' ' 283' ' ' GLN . 17.0 ttp -71.52 109.58 5.56 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.774 0.321 . . . . 0.0 110.315 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 317' ' ' ARG . . . . . 0.442 HH11 ' HD2' ' D' ' 317' ' ' ARG . 0.0 OUTLIER -62.81 123.52 18.67 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.624 -179.213 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 318' ' ' LEU . . . . . . . . . . . . . 14.1 mt -93.58 138.38 31.89 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.615 -0.72 . . . . 0.0 110.112 179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 319' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -68.08 -42.87 79.72 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.83 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 320' ' ' ASN . . . . . . . . . . . . . 52.3 t30 -153.7 123.19 6.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.005 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 321' ' ' TRP . . . . . 0.67 ' H ' ' CD ' ' D' ' 322' ' ' PRO . 31.4 p-90 -134.67 -36.09 0.02 OUTLIER Pre-proline 0 CA--C 1.545 0.785 0 N-CA-C 112.831 0.678 . . . . 0.0 112.831 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 322' ' ' PRO . . . . . 0.67 ' CD ' ' H ' ' D' ' 321' ' ' TRP . 90.6 Cg_endo -84.56 116.9 2.0 Favored 'Trans proline' 0 C--N 1.364 1.389 0 C-N-CA 121.676 1.584 . . . . 0.0 112.395 179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 323' ' ' PRO . . . . . 0.45 ' HD2' HG23 ' D' ' 326' ' ' ILE . 84.9 Cg_endo -81.03 -155.06 0.06 OUTLIER 'Trans proline' 0 N--CA 1.459 -0.539 0 C-N-CA 123.0 2.466 . . . . 0.0 112.382 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.41 -57.9 3.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.103 -0.498 . . . . 0.0 111.35 -179.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 325' ' ' SER . . . . . . . . . . . . . 6.6 m -92.44 107.77 19.46 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 121.119 0.485 . . . . 0.0 111.486 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 326' ' ' ILE . . . . . 0.45 HG23 ' HD2' ' D' ' 323' ' ' PRO . 0.7 OUTLIER -138.88 103.49 2.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.228 178.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 327' ' ' ALA . . . . . . . . . . . . . . . -126.07 -175.02 3.25 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.823 0.345 . . . . 0.0 111.076 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 328' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -120.28 178.79 4.51 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.845 -0.616 . . . . 0.0 109.804 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 329' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 . . . . . 0 C--O 1.251 1.153 0 CA-C-O 118.497 -0.763 . . . . 0.0 111.019 -179.048 . . . . . . . . 0 0 . 1 stop_ save_