data_2kek_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 2kek _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.4 p . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.728 0.775 . . . . 2.44 110.197 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 p -110.42 -168.43 1.31 Allowed 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.653 -0.703 . . . . 2.24 109.986 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.4 pt? -54.1 -16.32 1.94 Allowed 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.68 0.613 . . . . 1.86 112.356 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -79.98 -37.54 34.08 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.344 0.52 . . . . 2.37 111.088 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.97 -36.35 56.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.527 . . . . 2.12 111.614 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.74 -20.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 1.42 110.73 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.33 -60.81 3.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 1.54 110.879 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -37.14 81.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.973 0.416 . . . . 2.45 111.194 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.34 -31.29 67.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.399 -0.364 . . . . 2.54 111.59 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.47 -12.46 18.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.531 0.205 . . . . 1.37 111.215 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.2 29.01 32.02 Favored Glycine 0 C--O 1.229 -0.174 0 C-N-CA 120.498 -0.858 . . . . 1.23 113.05 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.01 -168.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 109.411 -0.588 . . . . 1.54 109.411 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.3 p -94.46 -167.88 1.74 Allowed 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.65 -0.5 . . . . 1.92 109.65 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.455 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.9 p90 -90.56 4.82 50.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.586 -0.446 . . . . 1.16 111.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -91.63 -36.19 13.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.69 -0.404 . . . . 2.78 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -32.74 74.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 109.572 -0.529 . . . . 1.86 109.572 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.08 -50.96 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.626 -0.716 . . . . 2.09 109.708 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.47 -16.19 61.81 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.236 -0.438 . . . . 1.93 112.13 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -38.74 59.66 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.994 -0.548 . . . . 5.06 111.875 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 11.9 m -89.14 -11.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 112.726 0.639 . . . . 2.28 112.726 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.73 -28.07 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 2.3 111.146 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -96.56 -53.67 3.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.684 0.624 . . . . 1.67 112.684 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -134.02 -33.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.577 0.584 . . . . 3.85 112.577 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 69.87 47.19 0.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.45 0.469 . . . . 1.9 111.645 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.82 -134.97 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.891 0.476 . . . . 2.53 111.117 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -77.42 83.83 3.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.173 0.511 . . . . 4.45 110.07 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.8 t -86.43 67.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.846 -0.615 . . . . 2.16 109.987 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 m 67.31 -7.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.643 -0.708 . . . . 1.99 112.667 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 75.12 -27.96 0.19 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.174 0.989 . . . . 1.81 112.601 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -116.29 -3.67 11.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 4.64 111.773 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -125.62 29.95 5.86 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.208 -0.451 . . . . 1.96 110.09 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 -82.51 -48.79 10.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.357 1.075 . . . . 3.94 109.418 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -22.22 34.13 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.165 -1.379 . . . . 2.64 109.257 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.85 -49.29 75.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.504 -0.771 . . . . 4.06 111.37 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 34' ' ' THR . 2.3 m -65.64 -38.58 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 117.747 0.249 . . . . 2.38 111.264 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -60.7 -42.9 98.12 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.826 0.822 . . . . 1.84 110.352 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.21 -44.81 82.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 1.65 110.097 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.9 73.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.56 110.227 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttp -63.9 -49.01 74.37 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.482 -0.781 . . . . 2.16 110.048 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.78 81.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.05 -0.523 . . . . 1.9 110.707 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.21 -48.54 70.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.204 -0.453 . . . . 2.08 111.783 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.18 -0.65 46.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 1.71 110.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t30 61.03 30.35 19.5 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.749 -0.659 . . . . 2.06 109.457 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -65.03 126.44 28.06 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 115.109 -0.95 . . . . 2.65 111.244 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.0 tp -109.54 108.33 59.76 Favored Pre-proline 0 C--N 1.311 -1.073 0 C-N-CA 120.649 -0.42 . . . . 2.63 111.504 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -67.99 50.64 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.308 2.672 . . . . 0.98 113.156 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 54.76 -160.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.15 0.906 . . . . 1.55 113.102 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -145.13 -40.16 0.24 Allowed 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.175 -0.921 . . . . 4.19 110.374 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.1 t -125.22 -7.53 7.07 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.344 0.868 . . . . 2.17 113.344 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.57 98.46 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.486 0.55 . . . . 1.46 112.486 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.459 HE21 ' HB3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -62.36 -19.75 63.69 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 123.19 0.596 . . . . 1.83 110.898 -178.236 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.78 -64.16 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.592 -0.892 . . . . 2.58 108.592 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.13 -5.51 2.33 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.18 0.437 . . . . 1.97 112.18 175.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.3 129.14 46.26 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.851 -1.156 . . . . 1.86 109.595 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 121.178 -0.534 . . . . 2.76 113.166 -178.964 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 120.536 0.208 . . . . 2.36 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.33 146.1 33.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.629 -0.878 . . . . 1.79 108.629 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.489 ' HG ' ' CE1' ' B' ' 47' ' ' TYR . 0.5 OUTLIER -62.2 -33.47 74.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.7 0.286 . . . . 1.86 110.789 -178.376 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -59.39 -33.47 71.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 115.769 -0.651 . . . . 1.23 110.846 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.32 -45.84 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.383 -0.372 . . . . 1.81 110.253 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.897 -0.592 . . . . 2.13 110.208 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.58 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.692 -0.686 . . . . 1.71 109.861 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -69.9 -38.61 76.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 2.73 112.381 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.88 -40.75 98.47 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.399 -0.593 . . . . 2.44 109.399 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.92 -19.15 60.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.85 -0.614 . . . . 1.51 111.064 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.75 75.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.447 -0.406 . . . . 1.59 113.125 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.18 -173.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.081 0.441 . . . . 2.42 111.284 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -80.98 20.52 0.78 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.028 1.121 . . . . 2.41 114.028 -177.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' B' ' 16' ' ' SER . 4.6 t80 70.97 -56.23 0.63 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.104 0.411 . . . . 3.02 111.911 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -50.95 -43.06 60.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.926 0.393 . . . . 3.62 111.538 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.42 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.0 OUTLIER -63.65 -25.58 68.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.02 1.118 . . . . 1.98 114.02 -178.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.6 t -71.0 -66.63 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.555 0.576 . . . . 2.22 112.555 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -21.24 66.11 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.841 0.682 . . . . 1.99 112.841 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -26.86 64.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 118.177 0.444 . . . . 5.92 110.423 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.463 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 55.1 t -63.56 -39.74 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.76 0.314 . . . . 2.29 110.9 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -0.56 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.749 0.785 . . . . 2.47 110.999 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' B' ' 22' ' ' ARG . 20.3 t-20 -103.55 -63.89 1.14 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.544 -0.753 . . . . 4.26 111.445 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -167.4 54.53 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.82 0.343 . . . . 5.51 111.561 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -63.5 134.3 55.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.428 0.632 . . . . 3.0 111.874 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -124.44 -85.33 0.64 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.768 -1.105 . . . . 4.2 110.372 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -95.28 65.98 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.028 -0.533 . . . . 3.3 112.241 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.0 t -108.85 128.59 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.574 -0.899 . . . . 1.81 108.574 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.499 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 71.0 m -63.99 145.83 55.17 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.384 0.612 . . . . 2.3 110.932 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . 0.424 ' HA ' ' HG2' ' B' ' 35' ' ' ARG . . . -57.32 -33.99 68.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.888 -1.051 . . . . 2.11 110.29 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -66.45 -38.33 87.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.673 -0.694 . . . . 4.02 111.142 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.499 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -73.27 -44.9 58.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.836 -0.62 . . . . 2.2 111.69 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.429 ' O ' HG21 ' B' ' 38' ' ' VAL . 13.7 ptm180 -69.44 -28.74 66.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.334 0.588 . . . . 3.97 112.091 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.9 -50.48 70.54 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.652 -0.704 . . . . 1.96 110.623 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -68.4 -48.34 64.92 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.483 -0.78 . . . . 3.21 112.385 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.429 HG21 ' O ' ' B' ' 35' ' ' ARG . 9.1 m -61.06 -33.53 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 112.31 0.485 . . . . 2.05 112.31 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.37 -43.49 90.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.558 -0.905 . . . . 2.27 108.558 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -58.89 -39.73 82.3 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.394 -0.821 . . . . 1.73 110.785 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.22 -41.61 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.37 0.508 . . . . 1.21 112.37 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.51 -41.43 96.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.514 -0.312 . . . . 2.04 110.833 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.47 -29.88 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 1.79 111.543 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.559 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 13.3 tp10 -70.06 -46.95 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.952 0.406 . . . . 2.19 111.928 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.08 -8.4 45.95 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.319 -0.552 . . . . 1.75 112.398 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 65.16 86.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 2.35 109.406 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.489 ' CE1' ' HG ' ' B' ' 6' ' ' LEU . 40.9 t80 -90.02 110.96 21.91 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.92 -0.582 . . . . 1.35 111.063 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -114.2 120.12 39.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 N-CA-C 109.685 -0.487 . . . . 1.8 109.685 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.64 103.65 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.231 1.287 . . . . 1.5 111.524 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -79.88 147.14 31.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.848 -0.614 . . . . 2.08 111.71 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -98.16 88.68 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 3.98 110.75 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 99.4 m -158.43 -69.84 0.09 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.66 -1.154 . . . . 1.9 109.509 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.29 7.57 13.56 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.094 -0.706 . . . . 1.62 109.094 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.88 -50.33 6.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.623 -0.673 . . . . 1.93 110.072 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -66.15 -43.09 88.0 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.729 0.776 . . . . 3.88 109.693 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.409 ' HA ' HD11 ' B' ' 56' ' ' LEU . 30.0 tp -65.3 -37.75 88.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.146 -1.388 . . . . 1.91 112.551 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.38 63.46 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.037 0.211 . . . . 2.13 111.196 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 111.446 -0.661 . . . . 2.35 111.446 179.362 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.41 ' HB ' ' CB ' ' A' ' 8' ' ' ASP . 17.9 m . . . . . 0 N--CA 1.43 -1.459 0 CA-C-O 120.647 0.261 . . . . 2.44 111.264 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.584 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 1.2 p -108.4 -170.72 1.72 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.694 -0.685 . . . . 2.24 112.051 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.94 -19.87 5.27 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 113.046 0.758 . . . . 1.86 113.046 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -77.26 -32.3 55.53 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 118.187 0.449 . . . . 2.37 111.514 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.41 ' CB ' ' HB ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -86.53 -52.48 5.54 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.615 0.228 . . . . 2.12 111.615 -178.021 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.11 -35.06 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.153 -0.476 . . . . 1.42 111.484 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.38 89.79 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.173 0.434 . . . . 1.54 112.173 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.6 -33.46 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.118 0.485 . . . . 2.45 110.922 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -64.99 -33.82 76.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.809 -0.632 . . . . 2.54 110.977 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.57 -25.12 21.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.407 -0.815 . . . . 1.37 110.697 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.61 16.11 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.736 -0.745 . . . . 1.23 113.585 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.56 -171.5 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 120.442 0.163 . . . . 1.54 110.708 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.7 p -86.12 170.46 12.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.763 -0.458 . . . . 1.92 109.763 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -74.72 -12.41 60.41 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.921 -0.312 . . . . 1.16 110.739 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -82.81 -34.52 26.92 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.529 -0.468 . . . . 2.78 109.817 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -48.78 80.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 1.86 111.686 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.9 p -66.68 -36.06 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.545 0.572 . . . . 2.09 112.545 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -82.14 -14.96 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.647 -0.658 . . . . 1.93 110.792 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 15.2 tpt180 -73.9 -27.38 61.02 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 112.197 0.443 . . . . 5.06 112.197 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 20' ' ' VAL . 27.1 m -65.37 -42.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.569 0.7 . . . . 2.28 110.761 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -79.59 -15.5 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.826 -0.624 . . . . 2.3 112.004 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -85.09 -52.46 5.94 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.031 0.832 . . . . 1.67 110.253 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -160.22 -32.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.792 -0.567 . . . . 3.85 111.208 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 65.54 36.63 6.47 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.658 0.783 . . . . 1.9 111.929 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -42.83 63.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.766 -0.652 . . . . 2.53 111.642 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -141.92 75.94 1.52 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.536 0.207 . . . . 4.45 111.436 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 32' ' ' ALA . 3.1 t -102.65 35.74 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.729 -0.471 . . . . 2.16 109.729 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.563 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 57.1 m 65.19 -23.67 0.09 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.684 0.994 . . . . 1.99 113.684 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.72 -19.63 0.3 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.629 0.772 . . . . 1.81 110.775 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' ' 31' ' ' SER . 32.1 mttt -85.07 -36.17 21.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.677 0.791 . . . . 4.64 112.524 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.49 3.45 21.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.157 0.504 . . . . 1.96 111.079 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -43.84 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.898 0.703 . . . . 3.94 112.898 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -26.36 33.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.55 0.691 . . . . 2.64 111.448 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.586 -0.734 . . . . 4.06 111.189 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -71.81 -25.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 117.978 0.354 . . . . 2.38 110.881 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.31 -38.51 60.26 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.441 0.162 . . . . 1.84 110.721 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -65.11 -38.37 90.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.517 -0.311 . . . . 1.65 110.833 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.45 19.04 4.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.179 0.437 . . . . 1.56 112.179 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 38.1 ttm -85.56 -60.3 2.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.302 0.572 . . . . 2.16 110.356 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -18.31 44.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.513 -0.767 . . . . 1.9 110.256 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -74.24 -45.11 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.505 0.669 . . . . 2.08 111.295 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -91.0 -0.09 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.02 -0.536 . . . . 1.71 111.038 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 t30 64.99 83.29 0.17 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.842 0.714 . . . . 2.06 109.388 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.584 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 12.9 t80 -123.01 121.67 36.64 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.073 -0.512 . . . . 2.65 110.726 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.477 ' C ' ' H ' ' A' ' 50' ' ' ASN . 32.4 mt -119.51 110.74 36.97 Favored Pre-proline 0 C--O 1.223 -0.298 0 O-C-N 123.711 0.632 . . . . 2.63 109.358 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -63.99 18.09 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 123.883 3.055 . . . . 0.98 114.668 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 48' ' ' ILE . 42.5 m-80 60.09 165.06 0.06 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 122.093 0.949 . . . . 1.55 112.358 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -115.85 -15.33 11.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.594 -1.185 . . . . 4.19 109.441 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.667 ' SG ' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -136.8 110.75 8.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.52 -1.673 . . . . 2.17 109.817 179.372 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 174.49 -44.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.004 -0.998 . . . . 1.46 110.664 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.434 ' C ' ' H ' ' A' ' 56' ' ' LEU . 84.4 mt-30 -67.29 -29.35 68.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.791 0.682 . . . . 1.83 110.885 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.97 14.11 0.57 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.618 -0.676 . . . . 2.58 111.895 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 54' ' ' GLN . 8.9 tp -110.25 -16.59 13.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.964 -0.562 . . . . 1.97 110.16 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -120.55 -11.38 9.09 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 121.8 0.809 . . . . 1.86 111.711 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.612 0 N-CA-C 110.592 -1.003 . . . . 2.76 110.592 -178.475 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.218 -0.66 . . . . 2.36 109.218 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -145.69 160.34 41.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.916 -0.772 . . . . 1.79 108.916 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.97 -22.03 65.94 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.372 0.606 . . . . 1.86 110.934 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.51 -30.72 64.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.267 -0.878 . . . . 1.23 109.729 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.97 -27.14 60.84 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 122.139 0.971 . . . . 1.81 110.372 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.1 t -70.3 -41.36 78.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.552 -1.203 . . . . 2.13 110.482 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.13 65.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.677 0.751 . . . . 1.71 109.887 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -72.81 -44.15 61.83 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.572 -1.195 . . . . 2.73 110.544 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -67.84 -43.93 78.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 2.44 110.275 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.12 -21.33 59.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 113.87 1.063 . . . . 1.51 113.87 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.5 39.73 55.85 Favored Glycine 0 C--O 1.222 -0.605 0 N-CA-C 110.393 -1.083 . . . . 1.59 110.393 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -128.72 -173.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.371 . . . . 2.42 110.385 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -93.21 162.63 13.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 2.41 110.236 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.69 -22.21 61.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.85 -0.614 . . . . 3.02 110.732 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.598 ' HG3' ' N ' ' B' ' 19' ' ' THR . 0.2 OUTLIER -80.51 -30.57 37.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 3.62 110.446 -178.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.598 ' N ' ' HG3' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -70.23 -37.24 74.96 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.111 -0.949 . . . . 1.98 110.743 -177.516 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 29.5 m -77.05 -28.0 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.996 0.81 . . . . 2.22 111.494 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -84.43 -48.64 9.44 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.719 0.771 . . . . 1.99 110.688 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 3.3 tpp180 -55.43 -39.31 70.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.616 -1.175 . . . . 5.92 113.28 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.93 -20.69 23.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.334 0.494 . . . . 2.29 112.334 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.52 -74.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 120.966 0.413 . . . . 2.47 110.424 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -155.33 67.0 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 4.26 111.287 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.468 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 65.4 mt-30 -139.39 -66.42 0.46 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.311 -0.404 . . . . 5.51 111.449 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.17 161.49 32.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 3.0 112.054 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -115.83 -5.66 12.07 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.667 -0.697 . . . . 4.2 111.126 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.34 41.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 3.3 110.622 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -107.89 136.74 42.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.194 -0.457 . . . . 1.81 110.686 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.29 125.52 16.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 123.788 0.68 . . . . 2.3 112.296 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.76 96.92 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.088 -0.506 . . . . 2.11 111.404 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -58.42 -38.7 77.96 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.34 0.59 . . . . 4.02 111.667 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.1 -21.23 24.8 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.806 0.669 . . . . 2.2 112.806 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -73.95 -30.77 62.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.639 0.607 . . . . 3.97 112.639 -178.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.31 -31.0 72.03 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.644 0.735 . . . . 1.96 111.65 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -74.68 -27.84 60.58 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.276 -0.875 . . . . 3.21 111.56 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.44 -40.67 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 109.909 -0.404 . . . . 2.05 109.909 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 23.6 mt-10 -63.11 -45.31 92.65 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.363 -0.606 . . . . 2.27 109.363 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.81 79.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.999 -1.0 . . . . 1.73 111.311 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.02 96.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.264 -0.273 . . . . 1.21 110.264 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 79.5 mtm -63.91 -36.67 84.69 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.692 -0.685 . . . . 2.04 111.044 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.95 -37.02 24.68 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.318 0.386 . . . . 1.79 111.156 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.09 -45.35 81.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 2.19 110.334 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.38 -6.99 59.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.17 0.509 . . . . 1.75 110.028 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.84 50.19 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.754 -1.112 . . . . 2.35 110.585 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -63.48 120.47 11.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.159 -0.928 . . . . 1.35 111.369 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mt -126.72 127.95 24.37 Favored Pre-proline 0 C--N 1.317 -0.806 0 N-CA-C 107.816 -1.179 . . . . 1.8 107.816 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -43.98 95.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.475 2.117 . . . . 1.5 111.713 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -77.88 156.64 30.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.43 -0.804 . . . . 2.08 111.479 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.667 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 1.1 mpt_? -93.91 171.5 8.82 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.4 -0.593 . . . . 3.98 109.4 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.502 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 69.8 m 62.56 46.14 5.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.047 -0.524 . . . . 1.9 109.799 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 176.95 -25.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 114.682 -1.145 . . . . 1.62 109.731 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -90.3 -42.16 11.13 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 114.89 -1.05 . . . . 1.93 108.776 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.408 ' NE2' ' HG3' ' B' ' 51' ' ' ARG . 22.4 mp0 -71.94 -47.79 49.88 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 121.903 0.859 . . . . 3.88 110.206 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 1.1 tp -57.65 -31.85 66.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.477 -1.238 . . . . 1.91 111.705 179.375 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.77 -11.48 31.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.163 -0.335 . . . . 2.13 111.869 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.656 0 C-N-CA 120.602 -0.808 . . . . 2.35 111.332 -178.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 120.81 0.338 . . . . 2.44 110.953 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.551 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 11.8 p -126.5 -169.53 2.04 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.528 -0.306 . . . . 2.24 110.934 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.91 -16.65 1.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.096 -0.502 . . . . 1.86 111.899 179.176 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -80.99 -32.4 34.32 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.892 0.377 . . . . 2.37 111.008 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.5 -44.79 20.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 2.12 110.252 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.56 -26.83 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.979 -0.555 . . . . 1.42 111.003 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.67 -57.36 13.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.075 0.465 . . . . 1.54 110.65 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -45.54 91.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.47 -0.786 . . . . 2.45 110.251 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -60.34 -22.7 63.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.831 -0.622 . . . . 2.54 111.593 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.11 -10.09 18.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.495 . . . . 1.37 112.267 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.45 30.08 50.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.092 -0.575 . . . . 1.23 112.425 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.492 ' HB ' ' HG1' ' A' ' 19' ' ' THR . 3.2 m -139.02 -174.53 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.975 -0.38 . . . . 1.54 109.975 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 p -86.67 168.58 13.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.137 -0.69 . . . . 1.92 109.137 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -66.06 -18.29 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.185 -0.206 . . . . 1.16 111.218 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 42.8 tp60 -68.96 -29.57 67.83 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.481 0.181 . . . . 2.78 110.938 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.492 ' HG1' ' HB ' ' A' ' 15' ' ' VAL . 8.5 m -68.08 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.869 0.366 . . . . 1.86 110.092 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.75 -37.25 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.833 -0.621 . . . . 2.09 110.629 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.5 t -81.26 -20.99 39.74 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.19 0.519 . . . . 1.93 110.742 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 3.6 ttp180 -64.26 -31.58 72.84 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 5.06 112.432 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -87.46 -4.87 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.988 -0.685 . . . . 2.28 112.557 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.4 t -84.22 -53.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.26 0.553 . . . . 2.3 110.991 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -94.68 -65.64 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.535 -0.757 . . . . 1.67 112.24 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -62.69 -59.53 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.367 0.506 . . . . 3.85 112.367 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.03 31.1 21.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.757 -0.656 . . . . 1.9 110.626 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -91.68 -155.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.959 -0.564 . . . . 2.53 111.724 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -66.64 99.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 4.45 112.25 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' A' ' 32' ' ' ALA . 24.1 t -106.76 69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.476 -0.784 . . . . 2.16 109.786 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m 67.69 -18.96 0.14 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.916 -1.038 . . . . 1.99 112.507 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 70.84 2.16 4.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.036 0.534 . . . . 1.81 110.632 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -119.87 -45.9 2.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.76 0.79 . . . . 4.64 109.653 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -89.85 0.17 57.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.577 -1.192 . . . . 1.96 111.043 -179.696 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 35' ' ' ARG . 39.8 ttt-85 -69.35 -55.93 8.96 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.888 -0.596 . . . . 3.94 109.599 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.94 -30.89 69.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.64 110.198 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.76 -51.35 67.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.925 -0.58 . . . . 4.06 110.475 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 34' ' ' THR . 62.0 t -66.38 -45.05 90.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.692 0.282 . . . . 2.38 111.123 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -55.38 -35.9 65.79 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.431 -0.35 . . . . 1.84 111.447 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.29 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.149 -0.344 . . . . 1.65 111.662 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.39 83.76 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 111.6 0.222 . . . . 1.56 111.6 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.7 ptm -62.58 -34.79 77.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.173 -0.611 . . . . 2.16 111.175 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.37 41.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.992 0.425 . . . . 1.9 110.538 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.1 -38.32 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 2.08 111.416 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -86.56 6.46 30.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.411 -0.359 . . . . 1.71 111.188 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 t30 61.54 25.48 15.4 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.1 0.476 . . . . 2.06 110.712 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 16.7 t80 -65.98 144.08 56.98 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.826 -0.625 . . . . 2.65 111.41 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.41 ' C ' ' H ' ' A' ' 50' ' ' ASN . 2.6 tp -134.9 108.03 10.63 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 115.4 -0.818 . . . . 2.63 109.211 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 23.4 Cg_exo -66.98 30.73 0.12 Allowed 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.885 3.056 . . . . 0.98 114.618 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 48' ' ' ILE . 6.3 m-80 57.93 -173.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.796 0.665 . . . . 1.55 112.796 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -137.31 -42.97 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.058 -0.519 . . . . 4.19 111.808 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -96.31 -19.36 19.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.602 -0.272 . . . . 2.17 111.537 -179.05 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -25.98 67.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.308 0.575 . . . . 1.46 110.438 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.85 -17.55 64.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.59 -0.732 . . . . 1.83 110.845 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -79.34 -68.04 0.7 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.122 -0.49 . . . . 2.58 110.467 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.9 tp -58.35 -7.11 0.79 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.121 1.156 . . . . 1.97 114.121 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.07 4.53 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.578 0.584 . . . . 1.86 112.578 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.505 0 C-N-CA 120.516 -0.849 . . . . 2.76 111.529 179.207 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.239 0.527 0 N-CA-C 108.497 -0.927 . . . . 2.36 108.497 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -143.76 171.58 14.01 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.743 0.306 . . . . 1.79 110.483 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.477 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -69.12 -14.81 63.21 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.153 -0.476 . . . . 1.86 111.21 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.18 -23.96 54.73 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.037 -0.727 . . . . 1.23 109.037 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.81 -48.88 62.49 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.591 -0.731 . . . . 1.81 111.101 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.51 -31.48 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 2.13 111.67 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . 0.449 ' HA ' ' HB ' ' B' ' 15' ' ' VAL . . . -70.83 -36.43 72.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.168 0.433 . . . . 1.71 112.168 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -82.68 -38.02 23.98 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.88 0.372 . . . . 2.73 111.134 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.33 -53.48 57.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.491 0.923 . . . . 2.44 113.491 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.04 -8.34 22.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.205 0.817 . . . . 1.51 113.205 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.91 48.33 5.83 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 119.48 -1.343 . . . . 1.59 111.138 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' B' ' 10' ' ' ALA . 40.4 t -93.95 145.69 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.076 0.465 . . . . 2.42 111.015 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.54 15.03 1.4 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.381 -0.827 . . . . 2.41 113.079 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.477 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 8.0 t80 58.3 17.39 4.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.316 0.646 . . . . 3.02 111.968 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.0 -32.74 2.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.559 0.695 . . . . 3.62 109.22 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -8.67 59.17 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 113.186 0.81 . . . . 1.98 113.186 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.436 HG12 HG13 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -84.16 -59.21 2.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 O-C-N 122.124 -0.36 . . . . 2.22 110.802 -179.681 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -53.89 -28.23 35.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 1.99 112.029 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -41.53 93.01 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.935 -0.575 . . . . 5.92 110.436 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.94 -28.04 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.494 0.664 . . . . 2.29 109.85 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -79.89 -42.75 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.199 -0.91 . . . . 2.47 111.075 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -95.86 -76.67 0.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.994 0.368 . . . . 4.26 111.994 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -153.22 100.74 2.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.384 0.612 . . . . 5.51 111.388 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.89 146.72 54.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.2 -0.909 . . . . 3.0 110.541 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -142.07 -80.42 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.475 -0.329 . . . . 4.2 110.267 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 57.5 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.282 0.563 . . . . 3.3 111.064 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 t -103.05 113.99 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.855 -1.066 . . . . 1.81 110.189 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.5 ' HB3' ' OG1' ' B' ' 34' ' ' THR . 24.4 t -60.1 149.09 33.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.518 0.675 . . . . 2.3 110.917 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -24.08 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.626 -0.715 . . . . 2.11 111.559 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.62 -22.9 32.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.188 0.518 . . . . 4.02 110.323 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' B' ' 31' ' ' SER . 0.2 OUTLIER -90.86 -32.13 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 2.2 112.004 -178.515 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 17.2 ptp180 -66.79 -14.54 62.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 3.97 112.088 -177.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.71 -40.64 12.4 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.698 0.285 . . . . 1.96 110.876 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -63.85 -41.07 97.88 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.886 0.374 . . . . 3.21 110.675 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 18.4 m -64.73 -33.81 65.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.377 -0.829 . . . . 2.05 110.496 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 4.3 mt-10 -73.5 -44.22 58.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.839 -0.43 . . . . 2.27 109.839 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.57 74.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 1.73 110.95 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.88 88.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.246 0.546 . . . . 1.21 110.823 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.1 mtm -73.73 -36.16 65.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.823 -0.626 . . . . 2.04 111.367 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.89 -41.89 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 1.79 111.572 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.56 -48.36 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 2.19 110.984 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.19 -1.67 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 1.75 111.928 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 52.35 58.36 5.49 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.367 0.603 . . . . 2.35 111.598 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -64.31 119.21 9.88 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.118 -0.633 . . . . 1.35 110.814 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.4 mm -105.51 123.22 40.16 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.595 -0.729 . . . . 1.8 109.041 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.68 99.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.758 2.305 . . . . 1.5 112.983 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.46 103.34 13.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 2.08 111.492 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.51 ' HG3' ' OE1' ' B' ' 54' ' ' GLN . 2.5 mpp_? -85.99 100.0 11.83 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.443 1.116 . . . . 3.98 110.379 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' B' ' 54' ' ' GLN . 35.7 t -176.3 -69.34 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 113.458 -1.701 . . . . 1.9 107.429 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.93 13.09 1.13 Allowed 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 121.227 0.537 . . . . 1.62 110.886 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.51 ' OE1' ' HG3' ' B' ' 51' ' ' ARG . 3.5 mt-30 -88.83 -46.38 9.0 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 108.48 -0.933 . . . . 1.93 108.48 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' B' ' 56' ' ' LEU . 4.8 pt20 -85.88 -34.25 21.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.934 -1.136 . . . . 3.88 107.934 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 40.5 tp -83.19 53.48 2.48 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.83 -1.077 . . . . 1.91 109.137 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.81 0.69 1.11 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.891 -0.595 . . . . 2.13 111.839 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.784 0 C-N-CA 118.924 -1.608 . . . . 2.35 113.827 -179.243 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 8' ' ' ASP . 2.5 p . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 120.973 0.416 . . . . 2.44 111.531 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.514 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 2.2 p -111.03 -171.34 1.81 Allowed 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.078 -0.51 . . . . 2.24 109.658 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.536 ' CD1' ' HB2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -58.66 -22.78 57.77 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.722 0.296 . . . . 1.86 111.753 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -71.1 -28.39 64.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 2.37 110.726 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.473 ' HB3' HG22 ' A' ' 4' ' ' VAL . 30.4 t0 -87.94 -46.23 9.56 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.317 -0.401 . . . . 2.12 110.094 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 5' ' ' THR . 37.1 t -59.92 -26.96 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.825 -0.625 . . . . 1.42 110.071 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.83 75.93 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.936 -0.575 . . . . 1.54 110.49 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.68 -51.74 66.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.859 0.361 . . . . 2.45 110.429 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -56.05 -31.44 63.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.566 -0.743 . . . . 2.54 110.637 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.4 -18.74 29.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.897 -0.592 . . . . 1.37 112.1 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.63 21.54 61.7 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 120.603 -0.808 . . . . 1.23 112.479 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.75 -171.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 117.344 0.572 . . . . 1.54 110.085 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -89.66 169.74 11.06 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.295 0.569 . . . . 1.92 110.513 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.536 ' HB2' ' CD1' ' A' ' 6' ' ' LEU . 4.5 p90 -66.42 -18.28 65.27 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.911 -0.586 . . . . 1.16 112.571 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -67.99 -34.96 77.51 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.902 -0.407 . . . . 2.78 109.902 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.54 83.93 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.086 -0.506 . . . . 1.86 110.231 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 23' ' ' VAL . 13.0 t -67.58 -43.67 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.768 0.318 . . . . 2.09 110.157 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 m -60.9 -31.65 71.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.589 0.709 . . . . 1.93 111.005 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -72.13 -34.23 68.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.432 0.901 . . . . 5.06 113.432 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 20' ' ' VAL . 33.2 m -78.51 -12.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 118.345 0.521 . . . . 2.28 111.217 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.57 -50.0 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.586 0.708 . . . . 2.3 109.538 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -90.91 -64.4 1.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.147 -0.933 . . . . 1.67 111.87 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.95 -73.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.185 0.439 . . . . 3.85 112.185 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.44 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 57.1 27.28 13.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.068 -0.514 . . . . 1.9 111.873 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.16 -82.64 0.62 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.182 0.515 . . . . 2.53 111.542 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -85.44 90.4 7.94 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.723 -0.671 . . . . 4.45 111.479 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.476 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.0 t -134.17 79.82 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.672 0.272 . . . . 2.16 110.484 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 t 60.07 -2.64 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.525 -0.762 . . . . 1.99 112.415 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 59.03 23.0 11.11 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.552 0.692 . . . . 1.81 110.613 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.84 -57.11 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.97 -1.013 . . . . 4.64 110.421 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.74 31.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 1.96 112.068 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.475 HH21 ' HG2' ' A' ' 36' ' ' GLU . 13.3 ttp85 -82.67 -45.76 14.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.887 0.851 . . . . 3.94 109.164 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HG2' HH21 ' A' ' 35' ' ' ARG . 84.7 mt-10 -80.94 -19.6 43.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.801 -1.091 . . . . 2.64 111.581 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.01 -65.42 0.62 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.812 0.339 . . . . 4.06 110.166 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.4 -36.63 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.954 -0.566 . . . . 2.38 111.456 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.95 -32.24 71.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.063 -0.255 . . . . 1.84 111.336 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.07 -26.77 25.13 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 109.463 -0.569 . . . . 1.65 109.463 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.06 67.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.033 -0.53 . . . . 1.56 110.496 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.0 ptm -60.81 -34.74 74.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.109 -0.496 . . . . 2.16 109.786 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.92 -36.53 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.675 -0.693 . . . . 1.9 110.889 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -44.19 89.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.215 -0.902 . . . . 2.08 111.826 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -95.68 4.06 53.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.863 -0.608 . . . . 1.71 112.004 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.6 t30 57.34 48.21 15.29 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.265 1.031 . . . . 2.06 110.387 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 13.2 t80 -72.0 125.3 26.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.504 -1.225 . . . . 2.65 111.692 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.414 ' C ' ' H ' ' A' ' 50' ' ' ASN . 5.4 tp -110.35 105.04 56.85 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.008 -0.996 . . . . 2.63 109.455 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -67.38 15.25 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.043 3.162 . . . . 0.98 114.527 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 48' ' ' ILE . 60.9 m-80 59.92 -171.97 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.981 0.42 . . . . 1.55 111.44 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 11.0 ptt85 -135.31 -34.77 0.85 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.652 -0.419 . . . . 4.19 110.712 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 84.6 m -89.43 -22.33 22.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.394 0.516 . . . . 2.17 112.394 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.12 89.55 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.261 0.35 . . . . 1.46 110.863 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.91 -35.25 80.12 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.033 -0.531 . . . . 1.83 111.19 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -71.96 -69.55 0.38 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.211 0.448 . . . . 2.58 112.211 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 tp -53.43 -17.37 1.91 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.998 1.481 . . . . 1.97 114.998 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.67 -57.93 7.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.091 -0.643 . . . . 1.86 110.659 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.054 0 C-N-CA 119.62 -1.276 . . . . 2.76 112.588 178.296 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.158 -0.312 . . . . 2.36 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -130.47 167.94 17.82 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.489 0.493 . . . . 1.79 110.369 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -20.4 50.01 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.788 -0.449 . . . . 1.86 109.788 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -81.83 -27.91 33.36 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.41 -0.814 . . . . 1.23 110.302 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -49.67 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.06 0.457 . . . . 1.81 111.058 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.97 -12.65 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.603 -0.726 . . . . 2.13 111.673 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.99 -51.18 6.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.016 0.436 . . . . 1.71 110.985 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.4 -40.35 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.29 -0.868 . . . . 2.73 110.276 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -61.6 -41.0 96.82 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 2.44 110.9 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -85.5 -10.03 56.62 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.51 111.811 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.34 32.2 83.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.258 -0.973 . . . . 1.59 111.362 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 m -97.74 176.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.576 -0.312 . . . . 2.42 110.996 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -91.01 11.55 22.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.647 -0.706 . . . . 2.41 112.146 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' B' ' 16' ' ' SER . 34.6 t80 73.54 -60.59 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.589 0.355 . . . . 3.02 111.627 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -58.91 -29.28 66.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.754 0.312 . . . . 3.62 111.323 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . 0.447 ' O ' HG21 ' B' ' 23' ' ' VAL . 0.2 OUTLIER -62.85 -36.92 84.85 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.154 -0.475 . . . . 1.98 110.617 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.35 -45.97 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 115.895 -0.593 . . . . 2.22 110.336 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -35.44 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.113 -0.494 . . . . 1.99 112.132 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.468 ' NH2' ' HB3' ' B' ' 26' ' ' GLN . 10.4 mmm180 -79.63 -31.23 41.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 122.104 -0.372 . . . . 5.92 110.587 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.447 HG21 ' O ' ' B' ' 19' ' ' THR . 64.2 t -64.35 -39.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.492 -0.483 . . . . 2.29 111.054 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 m -87.26 -20.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.946 0.35 . . . . 2.47 111.946 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -110.27 -73.41 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.362 0.505 . . . . 4.26 112.362 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . 0.468 ' HB3' ' NH2' ' B' ' 22' ' ' ARG . 18.5 tm0? -150.45 104.12 3.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.266 0.555 . . . . 5.51 110.864 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' B' ' 22' ' ' ARG . . . -94.05 125.25 38.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.566 -0.743 . . . . 3.0 111.175 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -108.82 -78.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.264 -0.426 . . . . 4.2 111.143 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -102.49 48.81 0.86 Allowed 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 110.044 -0.354 . . . . 3.3 110.044 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -99.19 122.06 50.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.74 -0.664 . . . . 1.81 110.714 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -73.02 141.55 47.68 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.229 0.538 . . . . 2.3 110.452 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.35 -17.09 62.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.328 -0.396 . . . . 2.11 111.842 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -67.15 -34.47 77.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.868 0.366 . . . . 4.02 111.424 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -22.65 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.532 . . . . 2.2 110.524 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.632 ' O ' HG23 ' B' ' 38' ' ' VAL . 25.8 ttt180 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.197 -0.91 . . . . 3.97 111.895 -178.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -34.63 78.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 122.007 0.908 . . . . 1.96 111.068 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -61.84 -34.86 76.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.18 -0.918 . . . . 3.21 112.361 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 35' ' ' ARG . 3.0 m -75.61 -22.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.246 -0.434 . . . . 2.05 111.3 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.25 -53.82 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.793 -0.447 . . . . 2.27 109.793 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.88 -40.31 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.176 -0.92 . . . . 1.73 111.155 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.062 -0.517 . . . . 1.21 112.082 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 19.2 ptp -61.85 -33.34 74.0 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.483 0.49 . . . . 2.04 111.183 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.79 42.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.56 0.578 . . . . 1.79 112.56 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.86 -43.29 46.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.239 0.543 . . . . 2.19 111.856 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -90.89 -6.34 54.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.187 -0.46 . . . . 1.75 111.841 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 t30 60.69 77.6 0.32 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 124.136 0.898 . . . . 2.35 110.898 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -74.47 122.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.35 111.302 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.6 125.1 24.38 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.674 -1.232 . . . . 1.8 107.674 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.51 103.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.72 2.28 . . . . 1.5 111.815 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.39 96.17 2.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.075 -0.966 . . . . 2.08 110.533 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . 0.525 ' HD3' ' OE1' ' B' ' 54' ' ' GLN . 30.8 mmt-85 -79.78 86.88 5.3 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.813 0.816 . . . . 3.98 110.0 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.48 -64.4 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 113.528 -1.669 . . . . 1.9 108.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.03 7.38 21.61 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.962 -0.563 . . . . 1.62 110.395 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.525 ' OE1' ' HD3' ' B' ' 51' ' ' ARG . 96.8 mt-30 -90.55 -44.06 9.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.206 -0.452 . . . . 1.93 110.152 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -71.57 -32.8 68.49 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.613 1.197 . . . . 3.88 108.187 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 19.1 tp -86.39 49.54 1.82 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.558 -1.655 . . . . 1.91 110.092 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.84 -13.04 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 2.13 112.142 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 121.321 -0.466 . . . . 2.35 112.917 179.133 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 121.524 0.678 . . . . 2.44 109.406 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.468 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 46.9 p -121.01 -169.16 1.79 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.373 0.606 . . . . 2.24 112.109 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' N ' HD11 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -52.03 -25.53 8.72 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.871 -1.059 . . . . 1.86 111.54 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -76.65 -38.05 55.26 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.537 -0.301 . . . . 2.37 110.717 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.66 -52.79 18.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.578 0.227 . . . . 2.12 110.54 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.48 -33.81 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.098 -0.501 . . . . 1.42 111.123 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.66 -57.59 10.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.511 -0.768 . . . . 1.54 111.354 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.54 -40.07 86.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.431 -0.804 . . . . 2.45 110.819 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -60.07 -42.76 95.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.051 -0.522 . . . . 2.54 111.518 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.67 -23.43 36.89 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.407 -0.36 . . . . 1.37 111.915 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.22 27.19 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.864 -0.684 . . . . 1.23 112.514 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.403 ' HB ' ' OG1' ' A' ' 19' ' ' THR . 3.5 m -137.12 -173.0 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 C-N-CA 122.733 0.413 . . . . 1.54 109.935 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.1 p -96.15 177.16 5.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.393 . . . . 1.92 110.033 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -67.59 -18.9 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.374 -0.376 . . . . 1.16 111.194 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -69.73 -41.69 74.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 2.78 111.106 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.403 ' OG1' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -66.21 -41.41 90.16 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.315 -0.402 . . . . 1.86 110.513 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.39 -33.41 61.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.484 0.659 . . . . 2.09 110.919 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -82.75 -30.03 29.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.768 -0.651 . . . . 1.93 112.154 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -24.67 57.88 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.017 0.747 . . . . 5.06 113.017 -177.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.02 -46.41 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.936 -0.477 . . . . 2.28 111.793 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.67 -21.49 13.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 111.846 0.313 . . . . 2.3 111.846 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -77.19 -59.07 2.93 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.24 -0.436 . . . . 1.67 112.051 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -136.66 -29.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.183 0.438 . . . . 3.85 112.183 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.58 65.39 0.47 Allowed 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.927 0.491 . . . . 1.9 111.376 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 m -104.78 -142.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.53 109.529 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.55 74.56 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.89 0.852 . . . . 4.45 111.889 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 32' ' ' ALA . 12.2 t -88.3 77.49 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 115.066 -0.97 . . . . 2.16 109.661 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 31.4 t 67.1 -40.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.278 0.986 . . . . 1.99 113.192 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 69.89 9.83 7.26 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 108.101 -1.074 . . . . 1.81 108.101 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.86 -38.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 113.969 -1.469 . . . . 4.64 110.486 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -104.2 3.64 33.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.334 -0.546 . . . . 1.96 111.081 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -60.12 -57.11 14.25 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.238 -0.437 . . . . 3.94 110.119 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -37.14 86.6 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.918 -0.583 . . . . 2.64 109.768 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -54.17 -43.65 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 4.06 111.039 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.85 -43.74 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.719 0.637 . . . . 2.38 110.348 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 42.2 mt-10 -60.35 -54.38 46.39 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.472 -0.785 . . . . 1.84 110.674 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.63 78.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.479 -0.782 . . . . 1.65 111.15 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.33 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.575 -0.739 . . . . 1.56 111.557 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.5 ttm -59.19 -39.13 81.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.719 . . . . 2.16 111.384 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.81 23.79 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.14 -0.482 . . . . 1.9 110.983 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -59.99 -55.0 39.43 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.918 0.71 . . . . 2.08 112.918 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.2 mt -80.3 -12.94 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.27 0.47 . . . . 1.71 112.27 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 72.91 105.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.358 0.599 . . . . 2.06 109.599 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 10.8 t80 -141.83 131.59 24.21 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.776 -0.647 . . . . 2.65 110.0 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' A' ' 50' ' ' ASN . 4.6 tt -118.42 106.63 44.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.524 . . . . 2.63 110.896 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -66.12 19.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.037 2.491 . . . . 0.98 113.786 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.494 ' H ' ' C ' ' A' ' 48' ' ' ILE . 22.4 m-80 59.84 -174.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.369 0.604 . . . . 1.55 111.235 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ptm85 -123.97 -33.21 3.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.252 0.549 . . . . 4.19 111.558 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -120.93 -0.04 10.16 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.171 -0.468 . . . . 2.17 112.261 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.07 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.09 0.472 . . . . 1.46 110.495 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -86.64 6.89 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.742 -0.663 . . . . 1.83 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -118.88 32.66 6.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.207 -0.452 . . . . 2.58 112.015 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 tp -115.36 -30.06 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.529 0.681 . . . . 1.97 111.3 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.53 23.34 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.046 -0.409 . . . . 1.86 111.522 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.814 0 N-CA-C 111.403 -0.679 . . . . 2.76 111.403 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.557 1.25 0 CA-C-O 118.364 -0.827 . . . . 2.36 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.54 161.74 41.49 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 124.754 1.284 . . . . 1.79 108.62 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -24.33 60.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.237 0.541 . . . . 1.86 111.205 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -63.5 -27.89 69.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 1.23 110.874 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -62.53 -59.17 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 1.81 110.587 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.58 -33.61 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.846 -0.616 . . . . 2.13 111.473 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.35 71.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.166 -0.47 . . . . 1.71 111.324 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.71 -35.15 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.757 0.28 . . . . 2.73 111.757 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -65.29 -44.36 88.21 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.29 0.567 . . . . 2.44 111.249 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.61 -18.54 35.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.065 -0.516 . . . . 1.51 112.349 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.41 35.11 75.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 119.902 -1.142 . . . . 1.59 111.009 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 5.3 m -92.2 163.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 2.42 111.193 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -89.83 33.75 0.85 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.258 -0.428 . . . . 2.41 111.55 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 67.46 -47.12 0.49 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.557 0.743 . . . . 3.02 112.751 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.432 HE21 ' HB3' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -65.41 -24.78 67.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.26 0.624 . . . . 3.62 111.844 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.56 76.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.871 0.693 . . . . 1.98 112.871 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.428 ' O ' HG21 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -84.21 -35.61 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.817 0.673 . . . . 2.22 112.817 -178.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 2.9 p -63.21 -34.17 77.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.759 0.314 . . . . 1.99 111.683 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.409 ' HD3' ' OE1' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -75.75 -37.17 59.56 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 112.535 0.568 . . . . 5.92 112.535 -179.021 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.456 HG22 HG22 ' B' ' 38' ' ' VAL . 60.0 t -65.96 -34.45 70.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.353 0.597 . . . . 2.29 110.602 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.428 HG21 ' O ' ' B' ' 20' ' ' VAL . 19.0 t -81.22 -29.63 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.056 -0.52 . . . . 2.47 110.375 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.83 -81.77 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.639 0.237 . . . . 4.26 111.639 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -154.1 88.84 1.26 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.219 0.533 . . . . 5.51 111.146 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 110.79 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 3.0 110.622 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -111.83 -45.61 3.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.206 -0.452 . . . . 4.2 112.004 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.0 62.41 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.551 -0.46 . . . . 3.3 111.819 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t -116.17 116.27 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.19 -1.041 . . . . 1.81 108.19 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.8 p -61.11 144.31 53.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.499 0.19 . . . . 2.3 111.04 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.8 -33.21 34.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 2.11 111.414 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.0 -55.04 40.09 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.167 -0.469 . . . . 4.02 111.499 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.09 -14.68 55.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.3 0.571 . . . . 2.2 110.996 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -23.83 65.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.556 -0.747 . . . . 3.97 111.733 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -88.42 -31.83 18.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.137 0.494 . . . . 1.96 110.29 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -61.25 -27.69 68.63 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.613 -0.721 . . . . 3.21 112.061 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.456 HG22 HG22 ' B' ' 23' ' ' VAL . 29.5 m -73.12 -32.29 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.86 0.362 . . . . 2.05 111.623 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.37 -46.28 87.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.34 -0.391 . . . . 2.27 110.883 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.19 -40.5 77.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.119 0.485 . . . . 1.73 110.764 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.15 -56.48 7.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.931 -0.577 . . . . 1.21 112.508 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 55.9 mtm -61.76 -29.76 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.82 0.674 . . . . 2.04 112.82 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.04 -38.62 16.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.516 0.561 . . . . 1.79 112.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.32 -48.6 69.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.899 0.38 . . . . 2.19 111.883 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -95.74 -2.84 47.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.426 -0.352 . . . . 1.75 111.709 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 55.26 67.62 0.99 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.144 -0.48 . . . . 2.35 111.77 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -65.23 120.56 12.96 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.254 0.549 . . . . 1.35 111.369 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mt -117.32 121.9 31.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 108.625 -0.88 . . . . 1.8 108.625 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.01 96.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.812 2.341 . . . . 1.5 111.868 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -81.51 118.32 22.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.522 -0.763 . . . . 2.08 111.406 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -81.05 104.25 11.41 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 122.008 0.909 . . . . 3.98 110.457 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -167.11 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.084 -1.416 . . . . 1.9 108.032 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.52 5.27 28.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 1.62 110.5 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -88.05 -46.58 9.2 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.951 0.881 . . . . 1.93 109.055 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.04 -39.68 72.15 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.591 -1.186 . . . . 3.88 109.513 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.6 tp -63.32 -27.28 69.21 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.004 -0.998 . . . . 1.91 110.875 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.65 58.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.047 0.388 . . . . 2.13 112.047 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.669 0 C-N-CA 120.867 -0.682 . . . . 2.35 112.662 178.194 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.428 -1.533 0 N-CA-C 109.632 -0.507 . . . . 2.44 109.632 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.567 HG21 ' N ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -152.09 -168.41 3.06 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 124.245 0.966 . . . . 2.24 110.389 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.567 ' N ' HG21 ' A' ' 5' ' ' THR . 2.0 pp -55.3 -8.1 0.29 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.899 1.074 . . . . 1.86 113.899 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -81.64 -46.96 13.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.465 -0.569 . . . . 2.37 109.465 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.6 -50.25 7.85 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.287 -0.869 . . . . 2.12 111.978 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.76 -34.36 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.901 -0.59 . . . . 1.42 111.201 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 6' ' ' LEU . . . -59.75 -56.85 16.67 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.158 -0.474 . . . . 1.54 110.856 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.76 -39.43 80.96 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 110.238 -0.282 . . . . 2.45 110.238 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.616 ' CD2' HD12 ' A' ' 45' ' ' LEU . 88.4 t80 -57.65 -54.96 41.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.11 -0.495 . . . . 2.54 110.387 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.1 -18.68 62.52 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.98 0.363 . . . . 1.37 111.98 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.95 22.72 24.78 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 119.661 -1.257 . . . . 1.23 112.435 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 m -132.07 -168.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.84 0.353 . . . . 1.54 110.777 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -109.97 -179.9 3.92 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.464 -0.569 . . . . 1.92 109.464 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -79.16 -6.78 57.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.657 0.614 . . . . 1.16 112.657 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -75.98 -34.67 59.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.392 0.615 . . . . 2.78 109.477 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.463 ' O ' HG21 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -68.63 -42.8 77.52 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.605 -0.725 . . . . 1.86 109.822 179.327 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.79 -41.83 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.983 -0.553 . . . . 2.09 109.892 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 t -55.76 -31.27 62.43 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.955 -0.566 . . . . 1.93 110.6 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -80.97 -32.52 34.38 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.654 -0.419 . . . . 5.06 111.02 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 53.2 t -69.49 -35.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 2.28 111.16 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 m -80.41 -20.3 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 CA-C-O 121.282 0.563 . . . . 2.3 111.448 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -92.93 -56.12 3.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.349 -0.842 . . . . 1.67 112.479 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.497 0.554 . . . . 3.85 112.497 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . 62.56 27.94 16.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.516 0.674 . . . . 1.9 110.844 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 p -88.13 -79.34 0.3 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.768 -0.651 . . . . 2.53 111.479 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.45 88.19 6.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.934 0.397 . . . . 4.45 111.116 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' A' ' 32' ' ' ALA . 57.0 t -124.03 83.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.959 -0.564 . . . . 2.16 110.223 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.7 m 64.58 -21.81 0.07 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.759 1.022 . . . . 1.99 113.759 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 74.07 -5.5 2.04 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.993 0.917 . . . . 1.81 110.49 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -128.31 -35.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 4.64 111.182 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 27.55 7.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.238 0.542 . . . . 1.96 111.774 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.48 -48.32 14.12 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.704 -0.68 . . . . 3.94 111.201 -177.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -19.79 39.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.441 -0.345 . . . . 2.64 110.261 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -46.44 89.1 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.407 0.521 . . . . 4.06 112.407 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 t -57.23 -37.29 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.926 0.393 . . . . 2.38 110.979 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -57.57 -42.38 82.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.985 0.422 . . . . 1.84 111.26 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.12 -32.91 56.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.299 -0.864 . . . . 1.65 111.269 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.65 87.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.237 -0.438 . . . . 1.56 111.099 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.9 mtm -61.01 -41.42 96.5 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.229 0.538 . . . . 2.16 110.727 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.21 -29.34 62.74 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.858 -0.61 . . . . 1.9 111.644 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -43.96 61.95 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.955 0.724 . . . . 2.08 112.955 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.616 HD12 ' CD2' ' A' ' 12' ' ' TYR . 16.4 mt -87.47 -15.83 36.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.999 0.428 . . . . 1.71 110.98 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 73.74 93.81 0.08 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.065 -1.087 . . . . 2.06 108.065 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.542 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 4.5 t80 -137.92 139.13 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.844 -1.071 . . . . 2.65 110.802 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.481 ' C ' ' H ' ' A' ' 50' ' ' ASN . 36.8 mm -125.16 114.67 26.06 Favored Pre-proline 0 N--CA 1.445 -0.687 0 CA-C-N 115.852 -0.613 . . . . 2.63 109.922 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -64.07 26.03 0.07 OUTLIER 'Trans proline' 0 N--CA 1.483 0.858 0 C-N-CA 123.787 2.992 . . . . 0.98 114.424 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' ILE . 9.3 m-20 57.89 169.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.689 0.996 . . . . 1.55 113.689 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -113.72 -22.17 10.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.652 1.215 . . . . 4.19 108.051 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -128.96 117.51 21.07 Favored 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.566 -1.652 . . . . 2.17 107.136 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 178.68 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.693 -0.685 . . . . 1.46 111.661 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.16 -14.65 61.11 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.228 -0.896 . . . . 1.83 111.788 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' SG ' ' B' ' 52' ' ' CYS . 19.6 mp0 -91.9 17.7 8.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.124 0.488 . . . . 2.58 110.826 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.28 11.06 4.94 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.091 0.472 . . . . 1.97 110.973 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.45 141.48 28.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.467 -0.333 . . . . 1.86 110.454 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.58 0 C-N-CA 120.558 -0.829 . . . . 2.76 112.236 179.424 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' B' ' 47' ' ' TYR . 3.5 m . . . . . 0 N--CA 1.439 -1.017 0 CA-C-O 121.016 0.436 . . . . 2.36 110.589 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.3 p -65.71 162.29 18.89 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.517 -0.765 . . . . 1.79 111.769 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.61 -14.2 62.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 1.86 111.573 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -71.65 -37.36 70.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.017 -1.105 . . . . 1.23 108.017 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.92 -50.64 72.61 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.12 -0.945 . . . . 1.81 109.171 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t -60.95 -50.7 79.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 114.423 -1.262 . . . . 2.13 111.33 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.35 -48.43 74.24 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 123.069 0.231 . . . . 1.71 111.016 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.61 -41.63 92.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.579 0.704 . . . . 2.73 110.917 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -67.38 -32.94 74.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.508 -0.769 . . . . 2.44 112.562 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.85 -17.96 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.559 -0.291 . . . . 1.51 111.547 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.88 34.85 46.85 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 120.758 -0.734 . . . . 1.59 112.346 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.91 -168.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.516 0.158 . . . . 2.42 110.893 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' SER . . . . . 0.412 ' O ' HG21 ' B' ' 20' ' ' VAL . 18.2 p -92.95 169.22 10.6 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.699 0.761 . . . . 2.41 112.546 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -71.08 -16.64 62.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.285 -1.325 . . . . 3.02 110.994 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.522 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -87.38 -54.78 4.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.23 0.538 . . . . 3.62 110.402 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -28.12 56.75 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.305 0.854 . . . . 1.98 113.305 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.436 ' O ' HG22 ' B' ' 24' ' ' VAL . 10.7 m -78.34 -32.48 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 N-CA-C 112.487 0.551 . . . . 2.22 112.487 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -81.21 -36.27 30.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.335 0.588 . . . . 1.99 111.679 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 27.2 mmm180 -72.41 -35.75 68.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.503 0.557 . . . . 5.92 112.503 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.62 -17.89 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.606 0.566 . . . . 2.29 112.428 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.436 HG22 ' O ' ' B' ' 20' ' ' VAL . 92.5 t -57.39 -63.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.274 -0.269 . . . . 2.47 110.274 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -173.49 35.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.704 -0.48 . . . . 4.26 109.704 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -119.35 -27.63 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.798 -0.361 . . . . 5.51 111.578 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.74 145.41 29.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 3.0 111.276 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.53 -4.81 22.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.055 0.455 . . . . 4.2 110.029 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.98 40.48 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 3.3 112.523 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.8 t -120.37 138.0 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 1.81 110.266 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -62.55 146.94 50.52 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.147 -0.478 . . . . 2.3 110.043 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.68 88.45 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.065 -0.516 . . . . 2.11 111.545 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.08 -26.56 66.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.809 -0.632 . . . . 4.02 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.3 m -87.31 -34.14 18.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.356 0.598 . . . . 2.2 110.476 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.85 -28.15 64.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.678 -0.692 . . . . 3.97 111.852 -177.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.83 -35.19 72.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.139 0.495 . . . . 1.96 110.912 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -70.78 -44.78 65.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.566 -0.743 . . . . 3.21 110.997 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.95 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.11 -0.495 . . . . 2.05 111.308 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 7.5 mt-10 -66.08 -39.42 90.01 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.646 -0.501 . . . . 2.27 109.646 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.65 -37.18 80.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.944 0.402 . . . . 1.73 110.318 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.99 66.13 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.846 0.355 . . . . 1.21 111.658 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' MET . . . . . 0.485 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 12.9 ptp -65.82 -30.54 71.18 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.636 -0.425 . . . . 2.04 111.133 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.89 34.87 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.234 0.54 . . . . 1.79 111.911 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -73.92 -41.28 62.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.553 -0.749 . . . . 2.19 110.771 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.34 -1.03 57.32 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.833 -0.621 . . . . 1.75 112.519 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 57.07 61.88 2.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 2.35 111.779 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . 0.485 ' HB3' ' HB2' ' B' ' 42' ' ' MET . 26.0 t80 -69.94 106.89 3.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 120.987 0.422 . . . . 1.35 110.588 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 68.8 mt -109.14 131.96 21.5 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 107.641 -1.244 . . . . 1.8 107.641 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.34 101.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.771 2.314 . . . . 1.5 111.97 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -71.7 119.89 16.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.782 -1.099 . . . . 2.08 111.675 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -84.74 -179.13 7.04 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.133 -1.062 . . . . 3.98 108.133 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 61.8 m 60.38 46.48 9.89 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.403 0.62 . . . . 1.9 109.562 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 171.25 -25.19 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.862 -1.517 . . . . 1.62 109.465 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -90.05 -35.51 15.44 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 125.034 1.459 . . . . 1.93 109.215 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -85.47 -16.41 39.71 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.734 -0.839 . . . . 3.88 108.734 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tp -90.67 -35.31 15.02 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.584 -1.189 . . . . 1.91 110.334 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.66 -27.03 61.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.025 -0.534 . . . . 2.13 110.538 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.218 0 CA-C-N 115.475 -0.784 . . . . 2.35 111.551 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.422 -1.874 0 N-CA-C 108.888 -0.782 . . . . 2.44 108.888 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.49 ' OG1' HD21 ' A' ' 6' ' ' LEU . 2.5 t -108.05 162.14 14.32 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.94 -0.573 . . . . 2.24 110.704 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.49 HD21 ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -54.95 -12.99 0.94 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.735 0.643 . . . . 1.86 112.735 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -67.34 -31.96 72.58 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.511 0.672 . . . . 2.37 110.034 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.48 -51.16 12.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.598 0.713 . . . . 2.12 110.823 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.56 -36.68 74.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 1.42 110.984 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.09 89.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 1.54 111.351 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -41.76 97.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.058 0.456 . . . . 2.45 110.372 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.24 -32.7 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.268 -0.878 . . . . 2.54 110.784 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.13 -18.11 47.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.829 0.347 . . . . 1.37 111.927 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.74 22.58 52.88 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.104 -0.57 . . . . 1.23 113.295 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.24 -173.21 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 117.129 0.465 . . . . 1.54 110.845 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -85.61 160.17 19.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 1.92 110.971 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -62.17 -18.57 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.555 0.576 . . . . 1.16 112.555 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 41.5 tp60 -70.57 -22.97 62.52 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.534 -0.543 . . . . 2.78 109.534 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.62 ' HA ' ' NH1' ' A' ' 22' ' ' ARG . 88.2 m -77.88 -32.78 52.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.939 0.4 . . . . 1.86 110.017 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 t -77.55 -35.87 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.753 -0.832 . . . . 2.09 108.753 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -75.26 -16.38 60.45 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.854 0.835 . . . . 1.93 109.332 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.62 ' NH1' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -74.04 -42.56 60.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 5.06 112.623 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.517 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 25.4 m -73.23 -17.7 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.176 0.806 . . . . 2.28 113.176 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.69 -36.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.161 0.505 . . . . 2.3 111.461 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -95.32 -32.87 12.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.335 0.865 . . . . 1.67 113.335 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -119.79 -60.86 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.087 -0.245 . . . . 3.85 110.952 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 65.83 24.36 11.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.693 0.621 . . . . 1.9 112.224 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -116.79 -65.56 1.17 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.903 -0.319 . . . . 2.53 111.332 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.03 73.06 5.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.236 0.541 . . . . 4.45 111.286 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.26 44.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.862 -0.422 . . . . 2.16 109.862 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.31 1.82 1.73 Allowed 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.364 -0.38 . . . . 1.99 111.844 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.94 -52.59 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.02 0.928 . . . . 1.81 112.262 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 28.1 mmtp -67.57 -50.51 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.038 0.535 . . . . 4.64 112.192 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -73.09 -14.72 61.45 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.274 0.472 . . . . 1.96 112.274 -178.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 1.8 tmt_? -52.09 -49.87 62.72 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 124.127 0.892 . . . . 3.94 112.132 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.74 -31.48 46.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.216 -0.902 . . . . 2.64 111.359 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -53.75 -56.3 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.735 0.647 . . . . 4.06 112.096 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 42' ' ' MET . 6.4 m -65.59 -27.91 42.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 112.507 0.558 . . . . 2.38 112.507 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 41.3 mt-10 -69.2 -40.05 78.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.853 0.358 . . . . 1.84 110.28 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.05 72.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.162 -0.472 . . . . 1.65 111.251 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.64 88.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 1.56 111.429 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 1.6 ptm -63.87 -34.87 78.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.117 -0.492 . . . . 2.16 111.881 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.45 32.63 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.918 -0.488 . . . . 1.9 109.809 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.23 -40.91 87.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.307 -0.86 . . . . 2.08 111.23 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.24 5.4 45.0 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.182 -0.463 . . . . 1.71 111.791 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.59 31.91 21.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.659 0.743 . . . . 2.06 110.635 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.58 143.41 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.011 -0.995 . . . . 2.65 110.764 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.506 ' C ' ' H ' ' A' ' 50' ' ' ASN . 1.7 pt -135.34 109.78 10.49 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.289 -0.634 . . . . 2.63 109.289 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.97 21.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.485 1.027 0 C-N-CA 123.222 2.615 . . . . 0.98 113.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' A' ' 48' ' ' ILE . 40.6 m-80 53.85 -150.87 0.37 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.304 -0.407 . . . . 1.55 110.131 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.39 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.608 -0.886 . . . . 4.19 108.608 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -30.49 53.09 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.312 -0.625 . . . . 2.17 109.312 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.3 -28.07 67.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.084 -0.507 . . . . 1.46 111.462 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -71.83 -11.22 60.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.01 -0.541 . . . . 1.83 110.352 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -102.08 26.33 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.216 0.531 . . . . 2.58 110.721 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 tp -138.16 60.97 1.6 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 1.97 109.57 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.5 153.29 17.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 1.86 110.453 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.099 0 C-N-CA 120.51 -0.853 . . . . 2.76 113.244 179.593 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 109.079 -0.711 . . . . 2.36 109.079 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -65.96 139.68 58.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.999 -1.0 . . . . 1.79 112.538 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -31.93 73.37 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.327 -0.851 . . . . 1.86 109.491 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -56.17 -40.38 73.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.663 -0.495 . . . . 1.23 109.663 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.9 m-20 -56.72 -51.13 70.01 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.734 0.778 . . . . 1.81 110.532 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.36 -48.99 79.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 CA-C-N 114.491 -1.231 . . . . 2.13 112.027 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.79 88.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.968 0.413 . . . . 1.71 111.85 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.17 -44.08 97.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.229 -0.441 . . . . 2.73 110.281 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.41 -33.75 76.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.945 -0.571 . . . . 2.44 111.273 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.49 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.321 0.489 . . . . 1.51 112.321 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.65 38.36 91.43 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 121.722 -0.275 . . . . 1.59 112.586 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 32.5 m -131.43 -170.13 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.189 -0.3 . . . . 2.42 110.189 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -78.06 174.13 11.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.26 0.553 . . . . 2.41 110.699 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -26.49 37.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.523 -0.762 . . . . 3.02 110.022 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.637 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -79.76 -13.7 59.25 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.859 -0.336 . . . . 3.62 111.224 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.64 -20.9 23.12 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 112.578 0.585 . . . . 1.98 112.578 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -32.82 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 C-N-CA 120.737 -0.385 . . . . 2.22 111.929 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -44.18 17.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.282 0.563 . . . . 1.99 109.888 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.637 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 2.2 ttt180 -44.11 -37.13 2.91 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.791 1.236 . . . . 5.92 113.556 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 p -78.47 -14.74 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 112.059 0.392 . . . . 2.29 112.059 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.8 -72.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.015 0.436 . . . . 2.47 110.688 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -164.56 79.03 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.773 -0.649 . . . . 4.26 109.646 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -151.68 -66.3 0.18 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.182 0.515 . . . . 5.51 110.768 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.18 125.14 25.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.977 -0.556 . . . . 3.0 110.838 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -89.74 -18.75 25.76 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.448 0.642 . . . . 4.2 110.597 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -69.04 66.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.594 -1.184 . . . . 3.3 111.319 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 t -126.49 146.43 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.263 -0.88 . . . . 1.81 109.189 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.648 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 7.8 m -62.85 138.35 58.51 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.601 -0.518 . . . . 2.3 109.601 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.38 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 2.11 110.751 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.5 ' HA ' ' OE1' ' B' ' 36' ' ' GLU . 2.8 tptp -66.69 -30.03 70.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 4.02 111.563 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -82.25 -40.2 21.93 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.358 -0.383 . . . . 2.2 111.091 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -78.47 -21.89 48.37 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.851 0.686 . . . . 3.97 112.851 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.5 ' OE1' ' HA ' ' B' ' 33' ' ' LYS . 11.9 pt-20 -64.08 -34.52 78.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.104 0.478 . . . . 1.96 110.5 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.14 -38.53 60.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.214 0.53 . . . . 3.21 110.595 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.39 -46.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 2.05 111.026 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.38 -38.41 80.43 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 123.8 0.687 . . . . 2.27 111.058 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.42 0.8 7.42 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 112.128 0.418 . . . . 1.73 112.128 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.29 -45.68 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.119 0.485 . . . . 1.21 110.735 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -30.11 69.9 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.319 -0.401 . . . . 2.04 111.733 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.87 -23.18 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.302 0.572 . . . . 1.79 111.03 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.11 -24.41 47.51 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.107 -0.951 . . . . 2.19 111.684 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -114.56 4.14 15.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.711 0.291 . . . . 1.75 111.143 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 58.9 t30 56.5 73.81 0.43 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.526 -0.761 . . . . 2.35 110.132 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -78.92 94.82 5.29 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.231 -0.441 . . . . 1.35 111.265 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -98.25 141.21 22.58 Favored Pre-proline 0 N--CA 1.442 -0.827 0 N-CA-C 107.037 -1.468 . . . . 1.8 107.037 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.91 106.58 0.11 Allowed 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 121.889 1.726 . . . . 1.5 112.158 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . 0.434 ' O ' ' HG2' ' B' ' 54' ' ' GLN . 63.6 t30 -59.71 119.43 7.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.98 -0.554 . . . . 2.08 111.647 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -82.37 162.86 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.67 . . . . 3.98 109.783 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m 61.99 51.54 3.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.374 0.607 . . . . 1.9 110.4 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 179.12 -24.62 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 123.262 1.506 . . . . 1.62 108.294 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' B' ' 50' ' ' ASN . 0.8 OUTLIER -88.45 -23.73 23.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.551 -1.204 . . . . 1.93 108.645 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -71.9 -40.13 69.07 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.168 -1.378 . . . . 3.88 109.68 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -74.96 -31.45 61.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.683 -1.144 . . . . 1.91 109.946 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.52 74.86 1.28 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 121.152 0.501 . . . . 2.13 110.614 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.033 0 C-N-CA 120.832 -0.699 . . . . 2.35 112.747 179.713 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 t . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 121.566 0.698 . . . . 2.44 110.82 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -129.64 176.06 8.31 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.383 -0.826 . . . . 2.24 109.016 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 7' ' ' TYR . 1.9 pp -49.97 -35.54 24.69 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.704 0.631 . . . . 1.86 112.704 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.462 ' N ' HD12 ' A' ' 6' ' ' LEU . 28.5 m-85 -64.36 -34.84 79.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.479 0.181 . . . . 2.37 111.482 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.6 -40.25 29.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.272 -0.422 . . . . 2.12 110.491 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.29 -35.16 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.082 0.468 . . . . 1.42 110.884 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.08 -54.44 46.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.434 -0.803 . . . . 1.54 111.544 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -64.27 -36.95 85.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.044 0.449 . . . . 2.45 110.69 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.416 ' CG ' HD11 ' A' ' 45' ' ' LEU . 50.6 t80 -63.45 -50.28 70.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.205 0.526 . . . . 2.54 110.692 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.41 -26.39 60.94 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.122 -0.631 . . . . 1.37 111.612 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.06 29.87 21.73 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.499 -0.858 . . . . 1.23 111.969 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.06 -173.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 N-CA-C 109.729 -0.471 . . . . 1.54 109.729 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.7 p -73.98 164.13 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.971 0.415 . . . . 1.92 110.187 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -85.0 7.8 20.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.038 -0.528 . . . . 1.16 111.519 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -115.08 -10.75 12.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 120.455 -0.498 . . . . 2.78 111.503 -179.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -73.05 -42.52 63.03 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 117.818 0.281 . . . . 1.86 110.852 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.98 -35.03 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.165 0.507 . . . . 2.09 111.733 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -85.2 -14.89 45.44 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.786 -0.572 . . . . 1.93 110.776 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 14.9 tpt180 -70.46 -26.29 63.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.946 -0.57 . . . . 5.06 111.028 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.72 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 2.28 110.6 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.84 -22.67 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.637 -0.711 . . . . 2.3 112.369 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -77.16 -64.26 1.18 Allowed 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.541 -0.754 . . . . 1.67 112.04 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -146.07 -11.96 0.49 Allowed 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.862 0.69 . . . . 3.85 112.862 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.69 49.32 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.196 0.599 . . . . 1.9 111.623 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.51 -60.31 1.55 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.4 -0.818 . . . . 2.53 111.905 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -79.65 94.17 5.64 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 110.036 -0.357 . . . . 4.45 110.036 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.414 ' CG1' ' HG2' ' A' ' 35' ' ' ARG . 25.3 t -138.01 -31.21 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.619 -0.719 . . . . 2.16 111.064 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 3.6 t 63.94 5.13 2.22 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.808 0.843 . . . . 1.99 111.604 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.97 -43.03 0.55 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.476 0.71 . . . . 1.81 111.619 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 31' ' ' SER . 20.8 mtmt -58.61 -53.01 63.12 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 122.653 0.381 . . . . 4.64 111.252 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.61 60.08 6.02 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.396 0.517 . . . . 1.96 112.396 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HG2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -99.6 -48.67 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 3.94 111.54 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -39.57 71.49 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.519 -0.309 . . . . 2.64 111.808 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 123.654 0.596 . . . . 4.06 112.078 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.43 -45.28 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.875 0 N-CA-C 112.197 0.443 . . . . 2.38 112.197 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.69 -42.5 83.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.665 -0.698 . . . . 1.84 111.809 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.01 63.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.632 -0.713 . . . . 1.65 111.218 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -51.71 64.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.923 -0.58 . . . . 1.56 112.403 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.0 ptp -65.16 -26.88 68.36 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.729 0.64 . . . . 2.16 112.729 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -43.12 14.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.403 0.52 . . . . 1.9 112.403 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.11 -42.99 99.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.404 0.89 . . . . 2.08 113.404 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.418 ' O ' ' HB3' ' A' ' 46' ' ' ASN . 96.0 mt -89.09 -11.39 44.16 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.642 0.608 . . . . 1.71 112.642 -177.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 2.8 t-20 68.13 97.03 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.071 -1.085 . . . . 2.06 108.071 -177.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.535 ' CE2' ' HG3' ' A' ' 49' ' ' PRO . 13.8 t80 -131.6 134.33 45.92 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.063 -0.517 . . . . 2.65 111.995 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.25 104.66 43.09 Favored Pre-proline 0 N--CA 1.456 -0.132 0 N-CA-C 108.431 -0.952 . . . . 2.63 108.431 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.535 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 81.7 Cg_exo -58.57 4.22 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 124.231 3.287 . . . . 0.98 115.728 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.13 168.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.323 1.058 . . . . 1.55 113.58 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.58 -16.87 1.76 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.236 -1.347 . . . . 4.19 109.098 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.603 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -99.44 -51.25 3.83 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.233 -0.894 . . . . 2.17 112.632 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.32 64.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.029 0.442 . . . . 1.46 111.932 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -71.67 8.02 1.28 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.557 -0.747 . . . . 1.83 112.088 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -128.72 22.28 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.872 0.367 . . . . 2.58 111.245 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 tp -110.61 -4.17 15.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.083 -0.508 . . . . 1.97 110.965 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.95 12.2 7.21 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.281 -0.567 . . . . 1.86 112.341 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.597 0 N-CA-C 111.666 -0.574 . . . . 2.76 111.666 -178.312 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 107.929 -1.137 . . . . 2.36 107.929 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 47.9 p -133.1 168.57 18.26 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 123.633 0.583 . . . . 1.79 109.684 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.25 -14.1 60.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.834 0.826 . . . . 1.86 109.053 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.82 -33.64 45.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.958 -1.019 . . . . 1.23 108.816 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.0 -39.68 93.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.058 -0.974 . . . . 1.81 110.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.26 -43.4 97.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.386 -1.279 . . . . 2.13 110.424 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.16 -24.07 62.18 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.768 0.794 . . . . 1.71 110.652 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.16 -53.72 11.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.705 -1.134 . . . . 2.73 110.558 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 54.4 t80 -62.74 -50.21 71.97 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.447 0.536 . . . . 2.44 112.447 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.68 -15.36 63.6 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 113.53 0.937 . . . . 1.51 113.53 -177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.6 41.24 44.28 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 111.292 -0.723 . . . . 1.59 111.292 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.27 -174.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.318 0.247 . . . . 2.42 110.577 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.11 172.28 6.96 Favored 'General case' 0 N--CA 1.426 -1.634 0 O-C-N 123.87 0.731 . . . . 2.41 109.695 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -77.24 61.52 2.13 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.756 0.822 . . . . 3.02 109.525 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.56 -23.05 0.05 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.905 -1.146 . . . . 3.62 107.905 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.78 -15.06 24.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.796 -1.093 . . . . 1.98 109.036 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 m -88.01 -22.65 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 113.161 0.8 . . . . 2.22 113.161 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.8 -60.74 2.25 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.145 -0.934 . . . . 1.99 109.55 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.408 ' HD2' HG22 ' B' ' 30' ' ' VAL . 16.4 ptt180 -59.24 -18.96 41.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.254 0.835 . . . . 5.92 113.254 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.507 HG21 ' HB ' ' B' ' 38' ' ' VAL . 1.4 p -78.6 -14.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.317 -0.553 . . . . 2.29 110.833 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.99 -69.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 123.455 0.472 . . . . 2.47 111.185 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -152.71 27.04 0.56 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.968 0.413 . . . . 4.26 110.698 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -138.46 46.01 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.485 0.66 . . . . 5.51 110.566 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.99 88.11 4.43 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.741 -1.118 . . . . 3.0 110.754 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.9 p -77.59 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.41 -0.359 . . . . 4.2 110.373 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -123.95 43.16 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.368 -0.234 . . . . 3.3 110.368 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . 0.408 HG22 ' HD2' ' B' ' 22' ' ' ARG . 14.9 t -80.24 138.46 19.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.604 -0.517 . . . . 1.81 109.604 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.4 t -61.1 117.5 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.317 0.385 . . . . 2.3 110.407 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -25.55 50.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.845 -0.616 . . . . 2.11 112.087 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 93.6 mttt -59.39 -53.86 53.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.514 0.673 . . . . 4.02 111.114 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.467 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.3 OUTLIER -80.17 -26.4 39.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 2.2 111.882 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -31.01 71.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 3.97 111.583 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 4.2 pt-20 -77.94 -26.8 49.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.248 -0.282 . . . . 1.96 110.468 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -73.51 -40.24 64.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.911 0.386 . . . . 3.21 110.665 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.507 ' HB ' HG21 ' B' ' 23' ' ' VAL . 2.2 t -67.68 -35.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 119.987 -0.685 . . . . 2.05 109.281 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.65 -40.12 80.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.76 -0.459 . . . . 2.27 109.76 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.73 86.34 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.164 -0.68 . . . . 1.73 109.164 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . 0.404 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -62.22 -44.8 95.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.091 0.472 . . . . 1.21 110.948 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.9 mtm -63.07 -38.79 92.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 2.04 111.252 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.07 -36.18 66.81 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.488 0.492 . . . . 1.79 111.283 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.43 -48.34 56.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.277 -0.42 . . . . 2.19 111.532 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.22 -2.92 58.57 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.105 0.409 . . . . 1.75 112.105 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.06 52.67 5.0 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.703 0.763 . . . . 2.35 109.451 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -75.64 103.99 5.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.317 -0.856 . . . . 1.35 110.973 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mt -116.37 131.84 23.62 Favored Pre-proline 0 C--N 1.315 -0.898 0 N-CA-C 107.62 -1.252 . . . . 1.8 107.62 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -30.32 105.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.197 3.265 . . . . 1.5 113.302 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -63.39 136.44 57.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.263 -0.88 . . . . 2.08 111.553 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.9 179.48 7.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.589 -0.732 . . . . 3.98 109.771 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.603 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.0 m 56.33 36.54 27.67 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 122.259 1.028 . . . . 1.9 109.983 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.27 -18.02 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 113.902 -1.499 . . . . 1.62 110.722 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -85.85 -32.28 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.516 -0.766 . . . . 1.93 109.451 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.83 -27.49 30.83 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.807 -0.812 . . . . 3.88 108.807 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 tp -81.64 -45.68 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.541 -1.209 . . . . 1.91 110.693 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.22 108.49 19.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.394 0.616 . . . . 2.13 110.687 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.668 0 C-N-CA 119.885 -1.15 . . . . 2.35 111.79 179.703 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.437 ' O ' ' HD1' ' A' ' 47' ' ' TYR . 34.6 m . . . . . 0 N--CA 1.434 -1.225 0 CA-C-O 121.242 0.544 . . . . 2.44 111.311 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.425 ' OG1' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -96.61 169.48 9.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.173 -0.467 . . . . 2.24 110.85 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -46.07 -26.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.39 0.676 . . . . 1.86 112.428 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -62.49 -40.93 98.27 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.704 0.288 . . . . 2.37 111.265 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.61 -35.08 62.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.208 0.528 . . . . 2.12 110.682 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.16 -37.3 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.236 -0.893 . . . . 1.42 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -53.24 60.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.502 -0.772 . . . . 1.54 110.846 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -62.09 -44.9 95.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 2.45 110.425 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -58.23 -38.82 77.59 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.887 -1.052 . . . . 2.54 111.804 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.83 -15.02 28.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 1.37 111.863 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.25 31.08 32.18 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 120.558 -0.829 . . . . 1.23 113.538 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.07 -164.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.346 -0.613 . . . . 1.54 109.346 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.7 p -89.32 170.45 10.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.535 -0.542 . . . . 1.92 109.535 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 26.0 p90 -82.4 22.3 0.86 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.085 -0.507 . . . . 1.16 111.009 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -117.8 -32.7 4.74 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.641 -0.709 . . . . 2.78 109.944 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -37.95 81.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.591 0.71 . . . . 1.86 109.407 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.32 -31.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.138 -0.937 . . . . 2.09 112.15 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -81.71 -19.82 40.71 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.702 0.763 . . . . 1.93 109.93 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -60.81 -34.74 74.98 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.155 -0.929 . . . . 5.06 111.364 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 47.8 t -73.75 -56.33 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 115.627 -0.715 . . . . 2.28 111.4 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -19.98 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 113.297 0.851 . . . . 2.3 113.297 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -96.01 -57.88 2.24 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.747 0.647 . . . . 1.67 112.747 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -104.79 -54.59 2.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.228 0.455 . . . . 3.85 112.228 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . 64.5 38.04 7.69 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.821 -0.627 . . . . 1.9 110.757 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -108.69 -75.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.05 0.452 . . . . 2.53 110.779 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -109.43 78.66 1.15 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.972 -0.558 . . . . 4.45 110.846 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.536 ' C ' ' H ' ' A' ' 32' ' ' ALA . 20.7 t -93.89 58.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 2.16 109.96 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 47.2 t 64.81 -18.67 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.531 -0.759 . . . . 1.99 112.774 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.52 -49.27 0.69 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.732 0.813 . . . . 1.81 111.105 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -88.89 -4.8 58.36 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.4 -0.364 . . . . 4.64 110.363 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 m -133.74 45.72 2.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.516 0.674 . . . . 1.96 111.408 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -102.35 -42.56 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.275 0.56 . . . . 3.94 110.217 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -39.5 77.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.716 -0.675 . . . . 2.64 110.312 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -58.2 -43.65 87.71 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.497 -0.774 . . . . 4.06 112.783 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -74.59 -33.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.801 0.297 . . . . 2.38 111.801 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.0 -40.57 83.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.303 0.573 . . . . 1.84 110.136 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.3 -39.85 71.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.606 . . . . 1.65 110.577 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.12 97.3 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.941 -0.572 . . . . 1.56 111.531 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ptm -65.27 -35.45 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.864 -0.334 . . . . 2.16 111.535 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.74 63.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.683 0.277 . . . . 1.9 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.68 -49.55 74.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.397 0.618 . . . . 2.08 112.002 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB3' HG23 ' A' ' 4' ' ' VAL . 53.4 mt -86.2 2.6 46.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.369 -0.832 . . . . 1.71 112.138 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t30 57.03 36.99 28.46 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.582 0.706 . . . . 2.06 109.188 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.437 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 33.0 t80 -66.85 142.14 57.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.83 -0.623 . . . . 2.65 110.848 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.91 110.75 13.18 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.991 -1.004 . . . . 2.63 109.89 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -55.36 0.58 0.12 Allowed 'Trans proline' 0 N--CA 1.484 0.961 0 C-N-CA 123.047 2.498 . . . . 0.98 115.659 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 58.81 -168.34 0.14 Allowed 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.086 0.469 . . . . 1.55 111.604 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -148.49 -35.7 0.2 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.411 0.624 . . . . 4.19 109.775 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' HB3' ' CA ' ' B' ' 52' ' ' CYS . 63.6 m -64.28 -49.47 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.548 -0.751 . . . . 2.17 111.504 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.58 75.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.913 -0.585 . . . . 1.46 111.49 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -62.56 -20.88 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 1.83 112.536 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.26 15.39 22.37 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.26 0.553 . . . . 2.58 111.064 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -106.67 -29.11 9.79 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.735 -0.469 . . . . 1.97 109.735 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -64.55 0.84 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.801 0.667 . . . . 1.86 112.801 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.592 0 C-N-CA 120.127 -1.035 . . . . 2.76 113.035 179.208 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 109.69 -0.485 . . . . 2.36 109.69 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 62.3 p -144.95 172.2 13.38 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.035 -1.098 . . . . 1.79 108.035 -179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.58 -13.41 61.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.277 0.56 . . . . 1.86 110.643 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -83.49 -34.16 25.42 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.237 0.542 . . . . 1.23 109.924 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.72 -44.93 69.33 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.7 -0.682 . . . . 1.81 110.544 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 t -59.95 -36.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.838 -1.074 . . . . 2.13 110.499 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.44 72.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.065 -0.516 . . . . 1.71 111.72 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.69 -51.24 65.94 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.464 -0.789 . . . . 2.73 109.645 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.18 -39.03 88.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.521 -0.763 . . . . 2.44 111.061 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . 0.51 ' O ' ' HE2' ' B' ' 37' ' ' LYS . . . -69.97 -20.76 63.29 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.518 0.511 . . . . 1.51 111.679 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.98 71.71 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 121.289 -0.481 . . . . 1.59 113.009 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -137.48 178.99 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 122.551 -0.382 . . . . 2.42 110.13 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -91.5 177.72 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.861 0.839 . . . . 2.41 110.778 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -76.82 113.17 14.19 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.661 -0.7 . . . . 3.02 109.338 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 158.15 -58.8 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.65 1.18 . . . . 3.62 108.938 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -34.11 76.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.354 -0.839 . . . . 1.98 112.125 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . 0.523 ' O ' HG13 ' B' ' 23' ' ' VAL . 18.4 t -77.68 -39.06 26.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.787 0.662 . . . . 2.22 112.787 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -25.25 60.49 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.491 0.552 . . . . 1.99 112.491 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.88 -25.13 28.17 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 112.108 0.41 . . . . 5.92 112.108 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . 0.523 HG13 ' O ' ' B' ' 20' ' ' VAL . 4.4 p -69.52 -24.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.657 -0.417 . . . . 2.29 111.178 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.21 -3.22 10.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 2.47 109.536 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -117.01 -73.88 0.63 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.545 -0.298 . . . . 4.26 111.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -165.09 77.39 0.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.294 0.569 . . . . 5.51 110.699 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.56 96.4 9.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.415 -0.811 . . . . 3.0 110.404 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.3 m -112.23 -41.48 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.731 -0.668 . . . . 4.2 110.257 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.99 32.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 3.3 111.519 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 t -118.46 144.99 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.189 -0.46 . . . . 1.81 109.768 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -65.76 -112.89 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.41 0.624 . . . . 2.3 112.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.63 -55.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.053 -0.404 . . . . 2.11 110.728 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -50.57 -41.98 54.99 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.769 0.668 . . . . 4.02 112.78 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -19.48 35.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.078 0.466 . . . . 2.2 111.615 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -73.51 -38.44 65.33 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.785 -0.643 . . . . 3.97 111.748 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -73.5 -31.18 63.59 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.48 -0.327 . . . . 1.96 110.92 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . 0.51 ' HE2' ' O ' ' B' ' 13' ' ' ALA . 49.2 mtpt -64.86 -42.49 94.82 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 122.282 -0.261 . . . . 3.21 110.789 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.31 -31.33 38.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 120.531 -0.467 . . . . 2.05 110.888 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.53 -48.43 77.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.382 -0.969 . . . . 2.27 108.382 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.93 91.97 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.417 -0.81 . . . . 1.73 110.655 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.93 -51.54 68.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.954 -0.567 . . . . 1.21 111.838 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -66.23 -29.11 69.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 121.189 -0.204 . . . . 2.04 111.281 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.03 -40.07 32.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.586 -0.279 . . . . 1.79 111.081 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.23 -51.23 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 2.19 110.782 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -85.23 -2.83 58.48 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.658 -0.247 . . . . 1.75 111.285 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 54.82 64.28 1.86 Allowed 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.734 -0.666 . . . . 2.35 110.349 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -68.11 126.58 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.641 0.734 . . . . 1.35 112.396 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 mt -129.65 125.29 22.25 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.949 -1.023 . . . . 1.8 108.25 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -54.74 95.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.667 2.245 . . . . 1.5 110.954 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -78.48 142.33 37.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.637 -1.165 . . . . 2.08 111.556 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -83.03 -163.17 0.69 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.796 -1.187 . . . . 3.98 107.796 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . 0.419 ' CA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m 55.61 48.4 18.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.011 1.386 . . . . 1.9 108.564 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 172.7 -13.1 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.046 -1.888 . . . . 1.62 109.402 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.87 -51.59 5.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.629 -0.714 . . . . 1.93 109.083 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -66.58 -37.29 84.61 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.062 -1.088 . . . . 3.88 108.062 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.2 tp -65.35 -37.14 86.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.651 -1.159 . . . . 1.91 110.325 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.72 -29.91 67.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 2.13 110.031 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.756 0 C-N-CA 120.724 -0.75 . . . . 2.35 112.766 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.428 -1.562 0 CA-C-O 121.323 0.582 . . . . 2.44 110.29 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -139.47 -173.82 3.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.077 -0.965 . . . . 2.24 109.7 -178.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.615 ' N ' HG22 ' A' ' 5' ' ' THR . 2.2 pp -53.28 -21.54 5.64 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.646 0.609 . . . . 1.86 112.646 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.567 ' H ' HG22 ' A' ' 5' ' ' THR . 2.7 m-30 -66.17 -29.93 70.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 2.37 110.617 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -94.58 -45.78 7.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.251 0.548 . . . . 2.12 111.226 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.77 -34.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.401 -0.818 . . . . 1.42 111.85 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.85 74.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.531 -0.304 . . . . 1.54 111.234 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -65.25 -47.72 75.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.081 -0.509 . . . . 2.45 111.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -61.49 -38.44 87.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 2.54 111.267 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.94 -17.79 42.34 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.396 0.887 . . . . 1.37 113.396 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 31.38 58.94 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.922 -0.656 . . . . 1.23 113.894 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -138.89 173.97 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.764 -0.458 . . . . 1.54 109.764 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 p -73.28 170.68 14.52 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.051 -0.722 . . . . 1.92 109.051 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -75.92 -13.06 60.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.344 -0.542 . . . . 1.16 110.7 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.27 -33.29 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 2.78 109.964 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -34.24 77.66 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.89 -0.596 . . . . 1.86 110.299 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.25 -38.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.573 -0.899 . . . . 2.09 108.573 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.1 m -63.12 -24.26 67.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.371 -0.831 . . . . 1.93 110.421 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -71.63 -51.87 20.96 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.411 0.523 . . . . 5.06 112.411 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -64.51 -27.31 42.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 112.829 0.677 . . . . 2.28 112.829 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 m -84.48 -29.5 7.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 O-C-N 121.781 -0.574 . . . . 2.3 110.685 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.46 -69.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.652 -0.249 . . . . 1.67 110.978 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -143.97 -12.11 0.65 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.761 0.652 . . . . 3.85 112.761 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.68 54.64 6.15 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.96 0.409 . . . . 1.9 110.946 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -82.8 0.32 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.39 0.614 . . . . 2.53 112.59 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -92.79 67.29 4.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.665 -0.414 . . . . 4.45 111.772 -177.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 32' ' ' ALA . 1.9 t -101.43 37.75 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.464 -0.334 . . . . 2.16 111.27 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m 70.08 -25.89 0.16 Allowed 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.82 0.7 . . . . 1.99 112.081 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.526 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 77.7 -6.32 2.0 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.992 0.917 . . . . 1.81 110.688 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.27 7.36 4.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.287 0.565 . . . . 4.64 110.065 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.74 27.11 4.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.661 0.743 . . . . 1.96 109.584 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -93.54 -40.52 10.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.582 -0.735 . . . . 3.94 109.899 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -25.58 62.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.908 -0.775 . . . . 2.64 108.908 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -54.42 45.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.302 -1.317 . . . . 4.06 111.874 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -76.35 -28.16 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.636 -0.711 . . . . 2.38 112.163 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 42' ' ' MET . 25.3 mt-10 -68.12 -43.45 78.35 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.944 -0.473 . . . . 1.84 111.152 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.39 95.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 1.65 110.266 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.99 3.51 12.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.147 0.499 . . . . 1.56 111.601 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.471 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 15.3 ttp -88.49 -59.27 2.28 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.885 -1.154 . . . . 2.16 107.885 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.12 62.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.037 -0.529 . . . . 1.9 111.857 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -64.7 -48.73 73.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.601 0.963 . . . . 2.08 113.601 -178.744 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.94 -7.34 49.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.568 0.167 . . . . 1.71 111.278 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 76.94 54.28 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 123.41 1.576 . . . . 2.06 109.586 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 5.4 t80 -74.24 122.48 22.9 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.996 -1.456 . . . . 2.65 110.816 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.8 mm -114.32 102.65 54.97 Favored Pre-proline 0 N--CA 1.468 0.452 0 C-N-CA 123.914 0.886 . . . . 2.63 110.812 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.87 34.38 0.32 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.258 2.639 . . . . 0.98 113.466 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 49.56 -168.72 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.308 0.855 . . . . 1.55 113.308 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 51' ' ' ARG . 5.5 tpp180 -94.89 -66.93 0.88 Allowed 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 121.676 -0.64 . . . . 4.19 110.911 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.14 42.96 2.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.737 0.78 . . . . 2.17 112.169 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -19.17 64.73 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.541 -1.209 . . . . 1.46 111.45 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -81.59 -7.28 59.57 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.584 -0.735 . . . . 1.83 111.754 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -93.05 33.8 1.15 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.592 -0.443 . . . . 2.58 111.013 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 tp -129.73 3.6 4.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.805 0.812 . . . . 1.97 110.419 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.45 2.98 6.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.046 -0.979 . . . . 1.86 109.512 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.88 0 C-N-CA 120.193 -1.003 . . . . 2.76 110.695 179.747 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.439 -0.984 0 N-CA-C 108.823 -0.806 . . . . 2.36 108.823 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.9 p -68.65 164.13 22.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.535 0.939 . . . . 1.79 113.535 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.61 -17.46 61.68 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.423 -0.808 . . . . 1.86 109.796 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.03 -41.33 70.96 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.225 0.536 . . . . 1.23 109.931 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.46 -60.29 3.76 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 115.321 -0.854 . . . . 1.81 110.362 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.5 m -56.05 -26.16 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 116.051 -0.522 . . . . 2.13 111.152 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.79 -41.2 60.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.632 0.729 . . . . 1.71 110.499 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.63 -50.17 65.99 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.417 -0.811 . . . . 2.73 111.661 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' B' ' 44' ' ' GLU . 36.0 t80 -62.98 -27.19 69.24 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.927 -0.579 . . . . 2.44 110.665 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.77 -14.59 59.19 Favored 'General case' 0 C--O 1.244 0.776 0 O-C-N 121.064 -1.022 . . . . 1.51 113.459 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.21 31.85 63.42 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.365 -0.922 . . . . 1.59 111.028 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.77 -169.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.02 -0.363 . . . . 2.42 110.02 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -108.84 169.97 8.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.332 0.587 . . . . 2.41 112.231 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -78.75 65.14 3.91 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.069 0.938 . . . . 3.02 109.399 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLN . . . . . 0.514 ' O ' ' HD2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -167.14 -38.45 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 113.808 -1.542 . . . . 3.62 109.376 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -30.15 62.42 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.438 -0.801 . . . . 1.98 110.676 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 18.1 t -61.9 -61.81 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 113.9 -1.5 . . . . 2.22 111.265 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -61.47 -50.73 71.6 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.104 -0.638 . . . . 1.99 111.474 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ARG . . . . . 0.514 ' HD2' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -49.84 -46.5 51.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.899 0.703 . . . . 5.92 112.899 -177.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -11.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 114.561 1.319 . . . . 2.29 114.561 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.82 -62.63 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 120.842 0.354 . . . . 2.47 110.26 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.5 29.24 0.01 OUTLIER 'General case' 0 C--N 1.342 0.278 0 N-CA-C 108.834 -0.802 . . . . 4.26 108.834 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -122.04 18.08 10.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.219 -0.9 . . . . 5.51 111.29 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.38 171.57 20.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.881 0.372 . . . . 3.0 111.622 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -136.0 -56.97 0.77 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.132 -0.485 . . . . 4.2 111.827 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 69.62 10.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.081 0.4 . . . . 3.3 112.081 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 30.7 t -113.03 137.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 1.81 108.251 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -49.59 119.13 3.2 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.557 0.536 . . . . 2.3 111.178 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.51 -23.07 64.25 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.554 0.342 . . . . 2.11 111.495 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -68.45 -43.1 77.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 4.02 111.133 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' THR . . . . . 0.487 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -86.27 -19.8 29.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.368 -0.378 . . . . 2.2 110.582 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -55.1 -51.46 66.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.943 -0.571 . . . . 3.97 110.527 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -23.11 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.93 -0.577 . . . . 1.96 111.546 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -70.64 -46.44 63.29 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.916 -0.49 . . . . 3.21 110.955 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' VAL . . . . . 0.487 HG21 ' O ' ' B' ' 34' ' ' THR . 14.5 t -63.79 -44.68 98.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 2.05 111.192 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -45.35 93.3 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 109.967 -0.383 . . . . 2.27 109.967 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -53.0 -39.89 63.43 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.42 -0.809 . . . . 1.73 111.039 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.69 -46.16 26.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.165 0.431 . . . . 1.21 112.165 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.3 mtm -57.21 -38.41 73.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 2.04 111.004 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -30.66 32.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.786 0.327 . . . . 1.79 111.282 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 2.7 tp10 -56.27 -55.34 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 2.19 111.446 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.46 -7.5 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.009 -0.367 . . . . 1.75 110.009 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 62.08 80.72 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.831 -0.622 . . . . 2.35 110.899 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.31 117.36 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 1.35 111.71 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -120.34 126.93 26.57 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.048 -1.093 . . . . 1.8 108.048 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -40.62 110.18 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.553 2.836 . . . . 1.5 113.198 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -64.91 139.65 58.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 2.08 111.559 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -87.64 170.78 10.98 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.761 -0.654 . . . . 3.98 109.873 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 33.8 m 60.92 37.93 17.97 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 124.061 0.851 . . . . 1.9 109.962 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.38 -23.54 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 114.217 -1.356 . . . . 1.62 111.36 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -73.9 -32.36 63.54 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.233 -1.395 . . . . 1.93 107.233 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.72 -37.76 65.02 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.279 -1.328 . . . . 3.88 109.915 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -60.01 4.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.141 -0.936 . . . . 1.91 110.638 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.05 79.9 9.22 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.723 -0.671 . . . . 2.13 111.822 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.711 0 C-N-CA 120.841 -0.695 . . . . 2.35 113.091 179.002 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.496 ' SD ' ' HA ' ' B' ' 61' ' ' SER . 22.3 ptm . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.54 -0.541 . . . . 6.17 109.54 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -69.65 117.58 54.52 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-O 120.409 0.147 . . . . 5.64 110.617 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -81.17 59.4 7.39 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.98 1.787 . . . . 4.41 111.839 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.4 p -90.63 98.51 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.728 0.775 . . . . 2.44 110.197 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.528 HG22 H5'' ' D' ' 12' ' ' ' DG' . 49.0 p -110.42 -168.43 1.31 Allowed 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.653 -0.703 . . . . 2.24 109.986 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.4 pt? -54.1 -16.32 1.94 Allowed 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.68 0.613 . . . . 1.86 112.356 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -79.98 -37.54 34.08 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.344 0.52 . . . . 2.37 111.088 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -76.97 -36.35 56.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.527 . . . . 2.12 111.614 -177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.74 -20.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 1.42 110.73 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.33 -60.81 3.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 1.54 110.879 179.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -37.14 81.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.973 0.416 . . . . 2.45 111.194 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.34 -31.29 67.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.399 -0.364 . . . . 2.54 111.59 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.47 -12.46 18.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.531 0.205 . . . . 1.37 111.215 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.2 29.01 32.02 Favored Glycine 0 C--O 1.229 -0.174 0 C-N-CA 120.498 -0.858 . . . . 1.23 113.05 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.8 m -138.01 -168.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 109.411 -0.588 . . . . 1.54 109.411 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.3 p -94.46 -167.88 1.74 Allowed 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.65 -0.5 . . . . 1.92 109.65 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.455 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.9 p90 -90.56 4.82 50.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.586 -0.446 . . . . 1.16 111.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -91.63 -36.19 13.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.69 -0.404 . . . . 2.78 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -32.74 74.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 109.572 -0.529 . . . . 1.86 109.572 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.08 -50.96 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.626 -0.716 . . . . 2.09 109.708 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.47 -16.19 61.81 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.236 -0.438 . . . . 1.93 112.13 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -38.74 59.66 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.994 -0.548 . . . . 5.06 111.875 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 11.9 m -89.14 -11.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 112.726 0.639 . . . . 2.28 112.726 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.73 -28.07 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 2.3 111.146 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -96.56 -53.67 3.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.684 0.624 . . . . 1.67 112.684 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -134.02 -33.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.577 0.584 . . . . 3.85 112.577 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.446 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 69.87 47.19 0.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.45 0.469 . . . . 1.9 111.645 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.82 -134.97 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.891 0.476 . . . . 2.53 111.117 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -77.42 83.83 3.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.173 0.511 . . . . 4.45 110.07 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.462 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.8 t -86.43 67.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.846 -0.615 . . . . 2.16 109.987 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 m 67.31 -7.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.643 -0.708 . . . . 1.99 112.667 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.462 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 75.12 -27.96 0.19 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.174 0.989 . . . . 1.81 112.601 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -116.29 -3.67 11.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 4.64 111.773 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.434 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -125.62 29.95 5.86 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.208 -0.451 . . . . 1.96 110.09 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 23.0 ttm105 -82.51 -48.79 10.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.357 1.075 . . . . 3.94 109.418 -178.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -22.22 34.13 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.165 -1.379 . . . . 2.64 109.257 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.456 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.85 -49.29 75.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.504 -0.771 . . . . 4.06 111.37 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 34' ' ' THR . 2.3 m -65.64 -38.58 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 117.747 0.249 . . . . 2.38 111.264 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -60.7 -42.9 98.12 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.826 0.822 . . . . 1.84 110.352 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.21 -44.81 82.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 1.65 110.097 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.9 73.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.56 110.227 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttp -63.9 -49.01 74.37 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.482 -0.781 . . . . 2.16 110.048 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.78 81.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.05 -0.523 . . . . 1.9 110.707 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.21 -48.54 70.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.204 -0.453 . . . . 2.08 111.783 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.18 -0.65 46.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 1.71 110.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t30 61.03 30.35 19.5 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.749 -0.659 . . . . 2.06 109.457 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -65.03 126.44 28.06 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 115.109 -0.95 . . . . 2.65 111.244 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.0 tp -109.54 108.33 59.76 Favored Pre-proline 0 C--N 1.311 -1.073 0 C-N-CA 120.649 -0.42 . . . . 2.63 111.504 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -67.99 50.64 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.308 2.672 . . . . 0.98 113.156 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.489 ' HB2' ' OP1' ' D' ' 13' ' ' ' DC' . 1.4 t-20 54.76 -160.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.15 0.906 . . . . 1.55 113.102 178.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -145.13 -40.16 0.24 Allowed 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.175 -0.921 . . . . 4.19 110.374 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.1 t -125.22 -7.53 7.07 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.344 0.868 . . . . 2.17 113.344 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.57 98.46 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.486 0.55 . . . . 1.46 112.486 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.459 HE21 ' HB3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -62.36 -19.75 63.69 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 123.19 0.596 . . . . 1.83 110.898 -178.236 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.78 -64.16 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.592 -0.892 . . . . 2.58 108.592 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.424 HD12 ' P ' ' C' ' 11' ' ' ' DG' . 8.4 tp -62.13 -5.51 2.33 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.18 0.437 . . . . 1.97 112.18 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.3 129.14 46.26 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.851 -1.156 . . . . 1.86 109.595 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.92 38.04 93.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.178 -0.534 . . . . 2.76 113.166 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -48.79 -59.75 3.3 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.361 0.683 . . . . 7.59 111.383 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 51.86 30.18 6.82 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.075 -0.966 . . . . 6.96 110.549 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.04 8.04 43.13 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.904 -0.589 . . . . 7.52 110.405 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 CA--C 1.515 -0.385 0 CA-C-N 115.468 -0.787 . . . . 9.13 109.857 179.455 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttm . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.034 0.445 . . . . 7.87 110.649 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -134.17 126.49 18.54 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.034 -0.53 . . . . 8.22 110.525 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -81.43 -171.47 1.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.819 2.346 . . . . 3.43 111.534 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 p -82.52 154.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.57 -0.287 . . . . 2.36 110.887 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.33 146.1 33.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.629 -0.878 . . . . 1.79 108.629 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.489 ' HG ' ' CE1' ' B' ' 47' ' ' TYR . 0.5 OUTLIER -62.2 -33.47 74.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.7 0.286 . . . . 1.86 110.789 -178.376 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -59.39 -33.47 71.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 115.769 -0.651 . . . . 1.23 110.846 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.32 -45.84 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.383 -0.372 . . . . 1.81 110.253 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.897 -0.592 . . . . 2.13 110.208 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.58 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.692 -0.686 . . . . 1.71 109.861 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -69.9 -38.61 76.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 2.73 112.381 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.88 -40.75 98.47 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.399 -0.593 . . . . 2.44 109.399 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.92 -19.15 60.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.85 -0.614 . . . . 1.51 111.064 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.75 75.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.447 -0.406 . . . . 1.59 113.125 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.18 -173.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.081 0.441 . . . . 2.42 111.284 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.457 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -80.98 20.52 0.78 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.028 1.121 . . . . 2.41 114.028 -177.455 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' B' ' 16' ' ' SER . 4.6 t80 70.97 -56.23 0.63 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.104 0.411 . . . . 3.02 111.911 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -50.95 -43.06 60.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.926 0.393 . . . . 3.62 111.538 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.42 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.0 OUTLIER -63.65 -25.58 68.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.02 1.118 . . . . 1.98 114.02 -178.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.6 t -71.0 -66.63 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.555 0.576 . . . . 2.22 112.555 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -21.24 66.11 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.841 0.682 . . . . 1.99 112.841 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.469 ' HD3' ' HA ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -26.86 64.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 118.177 0.444 . . . . 5.92 110.423 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.463 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 55.1 t -63.56 -39.74 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.76 0.314 . . . . 2.29 110.9 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -0.56 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.749 0.785 . . . . 2.47 110.999 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.426 ' HB3' ' HA ' ' B' ' 22' ' ' ARG . 20.3 t-20 -103.55 -63.89 1.14 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.544 -0.753 . . . . 4.26 111.445 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -167.4 54.53 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.82 0.343 . . . . 5.51 111.561 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.463 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -63.5 134.3 55.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.428 0.632 . . . . 3.0 111.874 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -124.44 -85.33 0.64 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.768 -1.105 . . . . 4.2 110.372 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -95.28 65.98 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.028 -0.533 . . . . 3.3 112.241 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.0 t -108.85 128.59 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.574 -0.899 . . . . 1.81 108.574 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.499 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 71.0 m -63.99 145.83 55.17 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.384 0.612 . . . . 2.3 110.932 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . 0.424 ' HA ' ' HG2' ' B' ' 35' ' ' ARG . . . -57.32 -33.99 68.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.888 -1.051 . . . . 2.11 110.29 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -66.45 -38.33 87.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.673 -0.694 . . . . 4.02 111.142 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.499 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -73.27 -44.9 58.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.836 -0.62 . . . . 2.2 111.69 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.429 ' O ' HG21 ' B' ' 38' ' ' VAL . 13.7 ptm180 -69.44 -28.74 66.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.334 0.588 . . . . 3.97 112.091 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.9 -50.48 70.54 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.652 -0.704 . . . . 1.96 110.623 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -68.4 -48.34 64.92 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.483 -0.78 . . . . 3.21 112.385 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.429 HG21 ' O ' ' B' ' 35' ' ' ARG . 9.1 m -61.06 -33.53 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 112.31 0.485 . . . . 2.05 112.31 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.37 -43.49 90.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.558 -0.905 . . . . 2.27 108.558 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.559 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -58.89 -39.73 82.3 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.394 -0.821 . . . . 1.73 110.785 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.22 -41.61 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.37 0.508 . . . . 1.21 112.37 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.51 -41.43 96.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.514 -0.312 . . . . 2.04 110.833 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.47 -29.88 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 1.79 111.543 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.559 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 13.3 tp10 -70.06 -46.95 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.952 0.406 . . . . 2.19 111.928 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.08 -8.4 45.95 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.319 -0.552 . . . . 1.75 112.398 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 65.16 86.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 2.35 109.406 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.489 ' CE1' ' HG ' ' B' ' 6' ' ' LEU . 40.9 t80 -90.02 110.96 21.91 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.92 -0.582 . . . . 1.35 111.063 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -114.2 120.12 39.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 N-CA-C 109.685 -0.487 . . . . 1.8 109.685 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.64 103.65 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.231 1.287 . . . . 1.5 111.524 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -79.88 147.14 31.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.848 -0.614 . . . . 2.08 111.71 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -98.16 88.68 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 3.98 110.75 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 99.4 m -158.43 -69.84 0.09 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.66 -1.154 . . . . 1.9 109.509 -178.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.29 7.57 13.56 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.094 -0.706 . . . . 1.62 109.094 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.88 -50.33 6.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.623 -0.673 . . . . 1.93 110.072 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -66.15 -43.09 88.0 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.729 0.776 . . . . 3.88 109.693 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.516 HD22 ' N2 ' ' D' ' 12' ' ' ' DG' . 30.0 tp -65.3 -37.75 88.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.146 -1.388 . . . . 1.91 112.551 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.38 63.46 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.037 0.211 . . . . 2.13 111.196 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.39 57.51 0.5 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.446 -0.661 . . . . 2.35 111.446 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -84.45 -173.83 4.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.539 -0.541 . . . . 6.55 109.539 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -76.33 -0.01 21.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.617 0.722 . . . . 7.12 110.583 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.496 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 9.0 m -149.94 137.71 20.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.423 -0.808 . . . . 7.17 109.309 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 118.55 -0.738 . . . . 9.08 110.111 179.628 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' -1' ' ' ' DC' . . . . . 0.973 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.084 0 C3'-C2'-C1' 99.494 -2.29 . . . . 5.49 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 C3'-C2'-C1' 99.655 -2.175 . . . . 4.68 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.795 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-C2' 103.946 -1.958 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.795 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.65 0 C3'-C2'-C1' 99.206 -2.496 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' DA' . . . . . 0.583 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.749 0 C3'-C2'-C1' 99.344 -2.397 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.546 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 O4'-C1'-C2' 104.183 -1.743 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.546 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.694 0 C3'-C2'-C1' 99.509 -2.279 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . 0.457 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 C3'-C2'-C1' 99.653 -2.176 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.457 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.992 0 C3'-C2'-C1' 99.544 -2.254 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.463 ' C4 ' ' C4 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.454 0.682 0 O4'-C1'-C2' 103.719 -2.165 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.463 ' C4 ' ' C4 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 103.955 -1.95 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.469 H2'' ' C5 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.626 1.581 0 C5'-C4'-C3' 117.862 2.108 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.469 ' C5 ' H2'' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.554 0 O4'-C1'-C2' 103.894 -2.005 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.437 " C2'" HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 C2'--C1' 1.502 -1.342 0 C3'-C2'-C1' 99.336 -2.403 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 100.184 -1.797 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 O4'-C1'-C2' 103.891 -2.008 . . . . 1.86 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.616 0.777 0 C3'-C2'-C1' 99.535 -2.26 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.938 0 C3'-C2'-C1' 99.434 -2.333 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.571 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.225 -2.482 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.571 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.888 0 C3'-C2'-C1' 99.763 -2.098 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.509 ' H71' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.003 0 C3'-C2'-C1' 99.598 -2.216 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.473 ' C7 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.316 -2.417 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.463 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.512 -0.611 0 O4'-C1'-C2' 103.636 -2.24 . . . . 3.58 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' -1' ' ' ' DG' . . . . . 0.535 H2'' ' C8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 C4'-C3'-C2' 104.362 1.162 . . . . 4.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.535 ' C8 ' H2'' ' D' ' -1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 100.265 -1.739 . . . . 3.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.455 ' C2 ' ' C2 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.769 0 O4'-C1'-C2' 105.151 -0.863 . . . . 3.32 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.798 0 C3'-C2'-C1' 99.878 -2.016 . . . . 2.4 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.502 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 107.529 -1.55 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.502 " O5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C1'-N19 108.591 0.989 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ' DC' . . . . . 0.483 ' C5 ' H2'' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C3'-C2'-C1' 100.933 -1.262 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . 0.417 H2'' ' OP2' ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -1.022 0 C1'-O4'-C4' 107.908 -1.28 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.665 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 104.281 1.13 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.665 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 104.921 -1.072 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . 0.547 H2'' ' C5 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 C3'-C2'-C1' 101.013 -1.205 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.628 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C3'-C2'-C1' 104.74 1.457 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.628 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 O4'-C4'-C3' 104.339 -1.261 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.489 ' OP1' ' HB2' ' A' ' 50' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C1'-O4'-C4' 106.315 -2.418 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.736 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 104.109 -1.491 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.736 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 C3'-C2'-C1' 105.254 1.824 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.51 ' C8 ' " C2'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 105.745 2.175 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.51 ' C5 ' " H2'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C4'-C3'-C2' 102.03 -1.17 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' ' DT' . . . . . 0.527 " C2'" ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.438 -0.728 0 C3'-C2'-C1' 105.482 1.987 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . 0.58 H2'' ' C5 ' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 C1'-O4'-C4' 110.432 0.523 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ' DC' . . . . . 0.58 ' C5 ' H2'' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 111.152 1.037 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ' DC' . . . . . 0.41 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 N19-C1'-C2' 115.464 0.79 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' ' DG' . . . . . 0.973 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.781 0 C4'-C3'-C2' 104.739 1.539 . . . . 4.14 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.123 -0.325 . . . . 6.17 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.431 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 60.6 mmtt -56.44 130.69 76.26 Favored Pre-proline 0 N--CA 1.451 -0.41 0 O-C-N 123.598 0.561 . . . . 5.64 110.614 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.478 ' HA ' HD21 ' A' ' 46' ' ' ASN . 39.5 Cg_exo -62.97 88.92 0.12 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.775 2.317 . . . . 4.41 111.062 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.41 ' HB ' ' CB ' ' A' ' 8' ' ' ASP . 17.9 m -81.54 150.97 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 115.304 -0.862 . . . . 2.44 111.264 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.584 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 1.2 p -108.4 -170.72 1.72 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.694 -0.685 . . . . 2.24 112.051 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.563 ' HG ' ' OP2' ' D' ' 13' ' ' ' DC' . 0.2 OUTLIER -53.94 -19.87 5.27 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 113.046 0.758 . . . . 1.86 113.046 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -77.26 -32.3 55.53 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 118.187 0.449 . . . . 2.37 111.514 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.41 ' CB ' ' HB ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -86.53 -52.48 5.54 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.615 0.228 . . . . 2.12 111.615 -178.021 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.11 -35.06 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.153 -0.476 . . . . 1.42 111.484 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.38 89.79 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.173 0.434 . . . . 1.54 112.173 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.6 -33.46 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.118 0.485 . . . . 2.45 110.922 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -64.99 -33.82 76.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.809 -0.632 . . . . 2.54 110.977 179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.57 -25.12 21.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.407 -0.815 . . . . 1.37 110.697 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.61 16.11 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.736 -0.745 . . . . 1.23 113.585 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.56 -171.5 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 120.442 0.163 . . . . 1.54 110.708 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.7 p -86.12 170.46 12.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.763 -0.458 . . . . 1.92 109.763 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -74.72 -12.41 60.41 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.921 -0.312 . . . . 1.16 110.739 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.481 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -82.81 -34.52 26.92 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.529 -0.468 . . . . 2.78 109.817 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -48.78 80.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 1.86 111.686 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.541 ' O ' HG23 ' A' ' 23' ' ' VAL . 3.9 p -66.68 -36.06 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.545 0.572 . . . . 2.09 112.545 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 86.8 p -82.14 -14.96 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.647 -0.658 . . . . 1.93 110.792 -179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.481 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 15.2 tpt180 -73.9 -27.38 61.02 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 112.197 0.443 . . . . 5.06 112.197 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.541 HG23 ' O ' ' A' ' 20' ' ' VAL . 27.1 m -65.37 -42.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.569 0.7 . . . . 2.28 110.761 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -79.59 -15.5 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.826 -0.624 . . . . 2.3 112.004 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -85.09 -52.46 5.94 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.031 0.832 . . . . 1.67 110.253 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -160.22 -32.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.792 -0.567 . . . . 3.85 111.208 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 65.54 36.63 6.47 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.658 0.783 . . . . 1.9 111.929 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -42.83 63.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.766 -0.652 . . . . 2.53 111.642 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -141.92 75.94 1.52 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.536 0.207 . . . . 4.45 111.436 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.483 ' C ' ' H ' ' A' ' 32' ' ' ALA . 3.1 t -102.65 35.74 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.729 -0.471 . . . . 2.16 109.729 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' OP1' ' C' ' 4' ' ' ' DA' . 57.1 m 65.19 -23.67 0.09 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.684 0.994 . . . . 1.99 113.684 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.72 -19.63 0.3 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.629 0.772 . . . . 1.81 110.775 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.563 ' HG3' ' O ' ' A' ' 31' ' ' SER . 32.1 mttt -85.07 -36.17 21.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.677 0.791 . . . . 4.64 112.524 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.49 3.45 21.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.157 0.504 . . . . 1.96 111.079 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -43.84 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.898 0.703 . . . . 3.94 112.898 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -26.36 33.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.55 0.691 . . . . 2.64 111.448 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.586 -0.734 . . . . 4.06 111.189 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 35.4 m -71.81 -25.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 117.978 0.354 . . . . 2.38 110.881 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.31 -38.51 60.26 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.441 0.162 . . . . 1.84 110.721 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . 0.411 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -65.11 -38.37 90.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.517 -0.311 . . . . 1.65 110.833 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.45 19.04 4.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.179 0.437 . . . . 1.56 112.179 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 38.1 ttm -85.56 -60.3 2.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.302 0.572 . . . . 2.16 110.356 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -18.31 44.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.513 -0.767 . . . . 1.9 110.256 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -74.24 -45.11 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.505 0.669 . . . . 2.08 111.295 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 79.9 mt -91.0 -0.09 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.02 -0.536 . . . . 1.71 111.038 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.478 HD21 ' HA ' ' A' ' 3' ' ' PRO . 11.0 t30 64.99 83.29 0.17 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.842 0.714 . . . . 2.06 109.388 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.584 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 12.9 t80 -123.01 121.67 36.64 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.073 -0.512 . . . . 2.65 110.726 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.477 ' C ' ' H ' ' A' ' 50' ' ' ASN . 32.4 mt -119.51 110.74 36.97 Favored Pre-proline 0 C--O 1.223 -0.298 0 O-C-N 123.711 0.632 . . . . 2.63 109.358 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.639 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 36.2 Cg_exo -63.99 18.09 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 123.883 3.055 . . . . 0.98 114.668 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.477 ' H ' ' C ' ' A' ' 48' ' ' ILE . 42.5 m-80 60.09 165.06 0.06 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 122.093 0.949 . . . . 1.55 112.358 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -115.85 -15.33 11.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.594 -1.185 . . . . 4.19 109.441 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.667 ' SG ' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -136.8 110.75 8.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.52 -1.673 . . . . 2.17 109.817 179.372 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 174.49 -44.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.004 -0.998 . . . . 1.46 110.664 -175.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' C ' ' H ' ' A' ' 56' ' ' LEU . 84.4 mt-30 -67.29 -29.35 68.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.791 0.682 . . . . 1.83 110.885 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.97 14.11 0.57 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.618 -0.676 . . . . 2.58 111.895 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.434 ' H ' ' C ' ' A' ' 54' ' ' GLN . 8.9 tp -110.25 -16.59 13.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.964 -0.562 . . . . 1.97 110.16 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.439 ' HB1' ' H21' ' C' ' 9' ' ' ' DG' . . . -120.55 -11.38 9.09 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 121.8 0.809 . . . . 1.86 111.711 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.05 79.87 0.29 Allowed Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.592 -1.003 . . . . 2.76 110.592 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -93.04 136.37 33.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.171 0.51 . . . . 7.59 110.71 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -95.75 65.58 2.6 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.149 -0.932 . . . . 6.96 111.343 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.33 97.48 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.457 -0.338 . . . . 7.52 111.085 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.453 -0.339 . . . . 9.13 110.399 179.746 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 110.334 -0.247 . . . . 7.87 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -99.58 111.05 60.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.99 0.424 . . . . 8.22 110.2 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.21 -178.8 4.47 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.902 2.401 . . . . 3.43 112.819 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p -78.56 165.03 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.218 -0.66 . . . . 2.36 109.218 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -145.69 160.34 41.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.916 -0.772 . . . . 1.79 108.916 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.97 -22.03 65.94 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.372 0.606 . . . . 1.86 110.934 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.51 -30.72 64.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.267 -0.878 . . . . 1.23 109.729 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.97 -27.14 60.84 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 122.139 0.971 . . . . 1.81 110.372 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.1 t -70.3 -41.36 78.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.552 -1.203 . . . . 2.13 110.482 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.13 65.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.677 0.751 . . . . 1.71 109.887 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -72.81 -44.15 61.83 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.572 -1.195 . . . . 2.73 110.544 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -67.84 -43.93 78.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 2.44 110.275 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.12 -21.33 59.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 113.87 1.063 . . . . 1.51 113.87 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.5 39.73 55.85 Favored Glycine 0 C--O 1.222 -0.605 0 N-CA-C 110.393 -1.083 . . . . 1.59 110.393 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -128.72 -173.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.371 . . . . 2.42 110.385 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -93.21 162.63 13.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 2.41 110.236 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.69 -22.21 61.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.85 -0.614 . . . . 3.02 110.732 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.598 ' HG3' ' N ' ' B' ' 19' ' ' THR . 0.2 OUTLIER -80.51 -30.57 37.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 3.62 110.446 -178.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.598 ' N ' ' HG3' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -70.23 -37.24 74.96 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.111 -0.949 . . . . 1.98 110.743 -177.516 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 29.5 m -77.05 -28.0 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.996 0.81 . . . . 2.22 111.494 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -84.43 -48.64 9.44 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.719 0.771 . . . . 1.99 110.688 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 3.3 tpp180 -55.43 -39.31 70.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.616 -1.175 . . . . 5.92 113.28 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.93 -20.69 23.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.334 0.494 . . . . 2.29 112.334 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 54.7 t -67.52 -74.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 120.966 0.413 . . . . 2.47 110.424 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -155.33 67.0 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 4.26 111.287 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.468 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 65.4 mt-30 -139.39 -66.42 0.46 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.311 -0.404 . . . . 5.51 111.449 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.17 161.49 32.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 3.0 112.054 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -115.83 -5.66 12.07 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.667 -0.697 . . . . 4.2 111.126 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.34 41.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 3.3 110.622 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -107.89 136.74 42.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.194 -0.457 . . . . 1.81 110.686 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.29 125.52 16.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 123.788 0.68 . . . . 2.3 112.296 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.76 96.92 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.088 -0.506 . . . . 2.11 111.404 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -58.42 -38.7 77.96 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.34 0.59 . . . . 4.02 111.667 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.1 -21.23 24.8 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.806 0.669 . . . . 2.2 112.806 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.425 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -73.95 -30.77 62.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.639 0.607 . . . . 3.97 112.639 -178.584 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.31 -31.0 72.03 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.644 0.735 . . . . 1.96 111.65 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -74.68 -27.84 60.58 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.276 -0.875 . . . . 3.21 111.56 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.44 -40.67 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 109.909 -0.404 . . . . 2.05 109.909 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 23.6 mt-10 -63.11 -45.31 92.65 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.363 -0.606 . . . . 2.27 109.363 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.81 79.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.999 -1.0 . . . . 1.73 111.311 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.02 96.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.264 -0.273 . . . . 1.21 110.264 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 79.5 mtm -63.91 -36.67 84.69 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.692 -0.685 . . . . 2.04 111.044 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.95 -37.02 24.68 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.318 0.386 . . . . 1.79 111.156 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.09 -45.35 81.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 2.19 110.334 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.38 -6.99 59.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.17 0.509 . . . . 1.75 110.028 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.84 50.19 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.754 -1.112 . . . . 2.35 110.585 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -63.48 120.47 11.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.159 -0.928 . . . . 1.35 111.369 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mt -126.72 127.95 24.37 Favored Pre-proline 0 C--N 1.317 -0.806 0 N-CA-C 107.816 -1.179 . . . . 1.8 107.816 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -43.98 95.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.475 2.117 . . . . 1.5 111.713 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -77.88 156.64 30.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.43 -0.804 . . . . 2.08 111.479 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.667 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 1.1 mpt_? -93.91 171.5 8.82 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.4 -0.593 . . . . 3.98 109.4 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.502 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 69.8 m 62.56 46.14 5.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.047 -0.524 . . . . 1.9 109.799 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 176.95 -25.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 114.682 -1.145 . . . . 1.62 109.731 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -90.3 -42.16 11.13 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 114.89 -1.05 . . . . 1.93 108.776 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.408 ' NE2' ' HG3' ' B' ' 51' ' ' ARG . 22.4 mp0 -71.94 -47.79 49.88 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 121.903 0.859 . . . . 3.88 110.206 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.406 ' HG ' ' O2 ' ' D' ' 11' ' ' ' DC' . 1.1 tp -57.65 -31.85 66.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.477 -1.238 . . . . 1.91 111.705 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.77 -11.48 31.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.163 -0.335 . . . . 2.13 111.869 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.78 -26.48 8.49 Favored Glycine 0 CA--C 1.503 -0.656 0 C-N-CA 120.602 -0.808 . . . . 2.35 111.332 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.407 ' HE3' ' HB3' ' B' ' 59' ' ' LYS . 1.1 ttpp -91.74 55.04 2.6 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.135 -0.533 . . . . 6.55 111.552 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -70.85 -12.28 61.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.718 -0.674 . . . . 7.12 110.422 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.63 158.48 16.47 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.325 -0.991 . . . . 7.17 108.325 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.256 1.417 0 CA-C-O 118.955 -0.545 . . . . 9.08 110.843 -179.208 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' -1' ' ' ' DC' . . . . . 0.957 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.512 -0.62 0 C3'-C2'-C1' 99.218 -2.487 . . . . 5.49 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.445 ' C8 ' H2'' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 C3'-C2'-C1' 99.469 -2.308 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.68 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 103.6 -2.272 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.68 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.896 0 O4'-C1'-C2' 104.02 -1.891 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ' DA' . . . . . 0.613 ' OP1' ' HA ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 C3'-C2'-C1' 99.308 -2.423 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.894 0 C3'-C2'-C1' 99.526 -2.267 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.514 H2'' ' C8 ' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.558 0 C3'-C2'-C1' 99.746 -2.11 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . 0.514 ' C8 ' H2'' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 99.519 -2.272 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 O4'-C1'-C2' 103.783 -2.106 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.439 ' H21' ' HB1' ' A' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.455 0.82 0 C3'-C2'-C1' 99.381 -2.371 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.294 0 O4'-C1'-C2' 103.913 -1.988 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.723 H2'' ' C5 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.624 1.426 0 O4'-C1'-C2' 103.797 -2.093 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.723 ' C5 ' H2'' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 P--OP1 1.474 -0.67 0 O4'-C1'-C2' 103.731 -2.154 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.456 ' N6 ' ' N4 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.216 0 C3'-C2'-C1' 99.039 -2.615 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.573 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.975 0 C3'-C2'-C1' 99.651 -2.178 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . 0.573 ' C5 ' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.765 -2.096 . . . . 1.86 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.624 1.383 0 C3'-C2'-C1' 99.788 -2.08 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 C3'-C2'-C1' 99.461 -2.313 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.461 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.425 -2.339 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.565 ' C8 ' ' H71' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C3'-C2'-C1' 99.394 -2.362 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.565 ' H71' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C3'-C2'-C1' 99.581 -2.228 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.515 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.224 0 C3'-C2'-C1' 99.328 -2.408 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.515 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-C1' 99.638 -2.187 . . . . 3.58 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' -1' ' ' ' DG' . . . . . 0.435 H2'' ' C8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 100.843 -1.327 . . . . 4.17 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.435 ' C8 ' H2'' ' D' ' -1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-C1' 100.355 -1.675 . . . . 3.83 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 O4'-C1'-N19 108.376 0.719 . . . . 3.32 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.406 ' O2 ' ' C2 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.236 -2.474 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.406 ' C2 ' ' O2 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.523 0.543 0 C3'-C2'-C1' 105.367 1.905 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.432 H2'' ' C5 ' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 C5'-C4'-O4' 108.262 -0.711 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ' DC' . . . . . 0.432 ' C5 ' H2'' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.512 -0.657 0 C3'-C2'-C1' 100.057 -1.888 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . 0.806 " H4'" " O5'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -0.988 0 C4'-C3'-C2' 104.841 1.641 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.806 " O5'" " H4'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.532 0.758 0 O4'-C4'-C3' 103.896 -1.704 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.673 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 100.88 -1.3 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.044 0 C3'-C2'-C1' 100.459 -1.6 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.985 H2'' " O5'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.44 0.681 0 C3'-C2'-C1' 105.305 1.861 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.985 " O5'" H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 105.007 1.807 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.639 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 P--O3' 1.591 -1.311 0 O4'-C4'-C3' 103.702 -1.898 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.7 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.135 0 C4'-C3'-C2' 101.422 -1.778 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.7 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 C3'-C2'-C1' 104.354 1.182 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.638 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C3'-C2'-C1' 105.773 2.195 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.532 " O5'" H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.513 -0.478 0 C4'-C3'-C2' 102.546 -0.654 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' ' DT' . . . . . 0.56 H2'' ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.41 -0.764 0 C3'-C2'-C1' 105.165 1.761 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . 0.624 H2'' " O4'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C1'-O4'-C4' 110.638 0.67 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ' DC' . . . . . 0.64 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 C4'-C3'-C2' 104.098 0.898 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ' DC' . . . . . 0.64 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.047 0 C3'-C2'-C1' 100.324 -1.697 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' ' DG' . . . . . 0.957 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 O4'-C1'-C2' 107.275 1.068 . . . . 4.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' SD ' ' HG2' ' A' ' 2' ' ' LYS . 2.6 ttm . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.97 0.415 . . . . 6.17 110.229 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.449 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 50.7 mmtt -97.62 141.5 23.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.203 -0.453 . . . . 5.64 110.422 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -75.91 46.81 1.8 Allowed 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.285 1.99 . . . . 4.41 113.189 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p -94.32 109.28 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 O-C-N 122.142 -0.349 . . . . 2.44 110.953 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.551 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 11.8 p -126.5 -169.53 2.04 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.528 -0.306 . . . . 2.24 110.934 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.529 ' HG ' ' OP2' ' D' ' 13' ' ' ' DC' . 0.3 OUTLIER -53.91 -16.65 1.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.096 -0.502 . . . . 1.86 111.899 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -80.99 -32.4 34.32 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.892 0.377 . . . . 2.37 111.008 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.5 -44.79 20.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 2.12 110.252 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 t -64.56 -26.83 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.979 -0.555 . . . . 1.42 111.003 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.67 -57.36 13.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.075 0.465 . . . . 1.54 110.65 179.525 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -45.54 91.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.47 -0.786 . . . . 2.45 110.251 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -60.34 -22.7 63.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.831 -0.622 . . . . 2.54 111.593 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.11 -10.09 18.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.495 . . . . 1.37 112.267 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.45 30.08 50.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.092 -0.575 . . . . 1.23 112.425 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.492 ' HB ' ' HG1' ' A' ' 19' ' ' THR . 3.2 m -139.02 -174.53 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.975 -0.38 . . . . 1.54 109.975 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 p -86.67 168.58 13.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.137 -0.69 . . . . 1.92 109.137 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 50.1 p90 -66.06 -18.29 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.185 -0.206 . . . . 1.16 111.218 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.44 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 42.8 tp60 -68.96 -29.57 67.83 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.481 0.181 . . . . 2.78 110.938 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.492 ' HG1' ' HB ' ' A' ' 15' ' ' VAL . 8.5 m -68.08 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.869 0.366 . . . . 1.86 110.092 179.14 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 39.0 t -67.75 -37.25 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.833 -0.621 . . . . 2.09 110.629 178.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.5 t -81.26 -20.99 39.74 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.19 0.519 . . . . 1.93 110.742 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 3.6 ttp180 -64.26 -31.58 72.84 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 5.06 112.432 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -87.46 -4.87 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.988 -0.685 . . . . 2.28 112.557 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.4 t -84.22 -53.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.26 0.553 . . . . 2.3 110.991 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -94.68 -65.64 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.535 -0.757 . . . . 1.67 112.24 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -62.69 -59.53 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.367 0.506 . . . . 3.85 112.367 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.03 31.1 21.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.757 -0.656 . . . . 1.9 110.626 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -91.68 -155.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.959 -0.564 . . . . 2.53 111.724 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -66.64 99.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 4.45 112.25 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' A' ' 32' ' ' ALA . 24.1 t -106.76 69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.476 -0.784 . . . . 2.16 109.786 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m 67.69 -18.96 0.14 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.916 -1.038 . . . . 1.99 112.507 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 70.84 2.16 4.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.036 0.534 . . . . 1.81 110.632 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -119.87 -45.9 2.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.76 0.79 . . . . 4.64 109.653 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -89.85 0.17 57.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.577 -1.192 . . . . 1.96 111.043 -179.696 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' A' ' 35' ' ' ARG . 39.8 ttt-85 -69.35 -55.93 8.96 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.888 -0.596 . . . . 3.94 109.599 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.94 -30.89 69.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.64 110.198 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.76 -51.35 67.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.925 -0.58 . . . . 4.06 110.475 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 34' ' ' THR . 62.0 t -66.38 -45.05 90.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.692 0.282 . . . . 2.38 111.123 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -55.38 -35.9 65.79 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.431 -0.35 . . . . 1.84 111.447 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.29 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.149 -0.344 . . . . 1.65 111.662 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.39 83.76 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 111.6 0.222 . . . . 1.56 111.6 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.7 ptm -62.58 -34.79 77.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.173 -0.611 . . . . 2.16 111.175 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.37 41.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.992 0.425 . . . . 1.9 110.538 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.1 -38.32 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 2.08 111.416 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -86.56 6.46 30.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.411 -0.359 . . . . 1.71 111.188 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 t30 61.54 25.48 15.4 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.1 0.476 . . . . 2.06 110.712 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.551 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 16.7 t80 -65.98 144.08 56.98 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.826 -0.625 . . . . 2.65 111.41 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.41 ' C ' ' H ' ' A' ' 50' ' ' ASN . 2.6 tp -134.9 108.03 10.63 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 115.4 -0.818 . . . . 2.63 109.211 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.482 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 23.4 Cg_exo -66.98 30.73 0.12 Allowed 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.885 3.056 . . . . 0.98 114.618 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.41 ' H ' ' C ' ' A' ' 48' ' ' ILE . 6.3 m-80 57.93 -173.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.796 0.665 . . . . 1.55 112.796 178.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -137.31 -42.97 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.058 -0.519 . . . . 4.19 111.808 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -96.31 -19.36 19.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.602 -0.272 . . . . 2.17 111.537 -179.05 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -25.98 67.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.308 0.575 . . . . 1.46 110.438 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.85 -17.55 64.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.59 -0.732 . . . . 1.83 110.845 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -79.34 -68.04 0.7 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.122 -0.49 . . . . 2.58 110.467 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.9 tp -58.35 -7.11 0.79 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.121 1.156 . . . . 1.97 114.121 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.07 4.53 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.578 0.584 . . . . 1.86 112.578 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.52 158.54 15.73 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 120.516 -0.849 . . . . 2.76 111.529 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 tttt 63.91 -139.49 0.31 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.665 -0.495 . . . . 7.59 109.665 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 64.38 -74.15 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.084 0.469 . . . . 6.96 111.176 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.559 ' HB3' ' N ' ' B' ' 1' ' ' MET . 0.7 OUTLIER -75.65 -14.09 60.35 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.494 -0.321 . . . . 7.52 111.525 -179.716 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.497 0 CA-C-N 116.132 -0.486 . . . . 9.13 109.743 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.559 ' N ' ' HB3' ' A' ' 61' ' ' SER . 76.9 mtp . . . . . 0 CA--C 1.515 -0.378 0 N-CA-C 109.973 -0.38 . . . . 7.87 109.973 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.505 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 32.8 ttmt -150.82 -52.32 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.646 0 C-N-CA 120.757 -0.377 . . . . 8.22 111.923 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.505 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 57.9 Cg_endo -86.86 -167.76 0.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 121.143 1.229 . . . . 3.43 113.041 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p -71.04 150.15 9.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 108.497 -0.927 . . . . 2.36 108.497 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -143.76 171.58 14.01 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.743 0.306 . . . . 1.79 110.483 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.477 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -69.12 -14.81 63.21 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.153 -0.476 . . . . 1.86 111.21 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.18 -23.96 54.73 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.037 -0.727 . . . . 1.23 109.037 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.81 -48.88 62.49 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.591 -0.731 . . . . 1.81 111.101 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.51 -31.48 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 2.13 111.67 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . 0.449 ' HA ' ' HB ' ' B' ' 15' ' ' VAL . . . -70.83 -36.43 72.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.168 0.433 . . . . 1.71 112.168 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -82.68 -38.02 23.98 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.88 0.372 . . . . 2.73 111.134 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.33 -53.48 57.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.491 0.923 . . . . 2.44 113.491 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.04 -8.34 22.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.205 0.817 . . . . 1.51 113.205 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.91 48.33 5.83 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 119.48 -1.343 . . . . 1.59 111.138 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . 0.449 ' HB ' ' HA ' ' B' ' 10' ' ' ALA . 40.4 t -93.95 145.69 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.076 0.465 . . . . 2.42 111.015 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.54 15.03 1.4 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.381 -0.827 . . . . 2.41 113.079 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.477 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 8.0 t80 58.3 17.39 4.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.316 0.646 . . . . 3.02 111.968 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.47 ' HB2' ' H41' ' C' ' 15' ' ' ' DC' . 0.0 OUTLIER -127.0 -32.74 2.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.559 0.695 . . . . 3.62 109.22 -179.545 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -8.67 59.17 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 113.186 0.81 . . . . 1.98 113.186 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.436 HG12 HG13 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -84.16 -59.21 2.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 O-C-N 122.124 -0.36 . . . . 2.22 110.802 -179.681 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -53.89 -28.23 35.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 1.99 112.029 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.458 HH12 " H3'" ' C' ' 14' ' ' ' DA' . 0.0 OUTLIER -65.52 -41.53 93.01 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.935 -0.575 . . . . 5.92 110.436 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 87.8 t -67.94 -28.04 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.494 0.664 . . . . 2.29 109.85 -179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -79.89 -42.75 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.199 -0.91 . . . . 2.47 111.075 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -95.86 -76.67 0.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.994 0.368 . . . . 4.26 111.994 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -153.22 100.74 2.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.384 0.612 . . . . 5.51 111.388 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.89 146.72 54.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.2 -0.909 . . . . 3.0 110.541 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -142.07 -80.42 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.475 -0.329 . . . . 4.2 110.267 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 57.5 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.282 0.563 . . . . 3.3 111.064 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.9 t -103.05 113.99 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.855 -1.066 . . . . 1.81 110.189 178.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.5 ' HB3' ' OG1' ' B' ' 34' ' ' THR . 24.4 t -60.1 149.09 33.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.518 0.675 . . . . 2.3 110.917 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -62.19 -24.08 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.626 -0.715 . . . . 2.11 111.559 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.62 -22.9 32.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.188 0.518 . . . . 4.02 110.323 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.5 ' OG1' ' HB3' ' B' ' 31' ' ' SER . 0.2 OUTLIER -90.86 -32.13 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 2.2 112.004 -178.515 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.507 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 17.2 ptp180 -66.79 -14.54 62.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 3.97 112.088 -177.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.71 -40.64 12.4 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.698 0.285 . . . . 1.96 110.876 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -63.85 -41.07 97.88 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.886 0.374 . . . . 3.21 110.675 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 18.4 m -64.73 -33.81 65.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.377 -0.829 . . . . 2.05 110.496 -178.24 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 4.3 mt-10 -73.5 -44.22 58.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.839 -0.43 . . . . 2.27 109.839 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.57 74.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 1.73 110.95 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.88 88.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.246 0.546 . . . . 1.21 110.823 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.1 mtm -73.73 -36.16 65.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.823 -0.626 . . . . 2.04 111.367 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.89 -41.89 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 1.79 111.572 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.56 -48.36 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 2.19 110.984 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.19 -1.67 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 1.75 111.928 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 52.35 58.36 5.49 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.367 0.603 . . . . 2.35 111.598 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -64.31 119.21 9.88 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.118 -0.633 . . . . 1.35 110.814 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.4 mm -105.51 123.22 40.16 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.595 -0.729 . . . . 1.8 109.041 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.68 99.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.758 2.305 . . . . 1.5 112.983 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.46 103.34 13.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 2.08 111.492 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.51 ' HG3' ' OE1' ' B' ' 54' ' ' GLN . 2.5 mpp_? -85.99 100.0 11.83 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.443 1.116 . . . . 3.98 110.379 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.404 ' C ' ' H ' ' B' ' 54' ' ' GLN . 35.7 t -176.3 -69.34 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 113.458 -1.701 . . . . 1.9 107.429 179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.93 13.09 1.13 Allowed 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 121.227 0.537 . . . . 1.62 110.886 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.51 ' OE1' ' HG3' ' B' ' 51' ' ' ARG . 3.5 mt-30 -88.83 -46.38 9.0 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 108.48 -0.933 . . . . 1.93 108.48 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.47 ' HG3' ' N ' ' B' ' 56' ' ' LEU . 4.8 pt20 -85.88 -34.25 21.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.934 -1.136 . . . . 3.88 107.934 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.536 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 40.5 tp -83.19 53.48 2.48 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.83 -1.077 . . . . 1.91 109.137 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.81 0.69 1.11 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.891 -0.595 . . . . 2.13 111.839 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.71 -34.31 0.58 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 118.924 -1.608 . . . . 2.35 113.827 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -135.38 113.97 11.73 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.787 -0.365 . . . . 6.55 111.86 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.1 145.09 54.28 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.327 -0.397 . . . . 7.12 111.46 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 13.5 m -117.72 38.32 3.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.691 0.757 . . . . 7.17 109.918 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.243 0.763 0 CA-C-N 115.052 -0.976 . . . . 9.08 109.895 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' -1' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.081 0 C3'-C2'-C1' 99.401 -2.356 . . . . 5.49 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.535 ' C8 ' H2'' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.194 0 C3'-C2'-C1' 99.301 -2.428 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.555 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 103.826 -2.067 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.555 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 99.794 -2.076 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ' DA' . . . . . 0.492 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 O4'-C1'-C2' 103.756 -2.131 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.403 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-C2' 103.692 -2.189 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 103.88 -2.018 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.139 0 C3'-C2'-C1' 98.718 -2.844 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.438 -2.33 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.292 -2.434 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.47 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 O4'-C1'-C2' 103.907 -1.994 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.47 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.969 0 O4'-C1'-C2' 103.793 -2.097 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 99.416 -2.346 . . . . 0.98 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.222 0 C3'-C2'-C1' 98.913 -2.705 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.458 " H3'" HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 C2'--C1' 1.508 -0.948 0 C3'-C2'-C1' 99.696 -2.145 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . 0.47 ' H41' ' HB2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C1'-C2' 104.1 -1.818 . . . . 1.86 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C3'-C2'-C1' 99.821 -2.057 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C3'-C2'-C1' 100.066 -1.881 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.469 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 99.046 -2.61 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.469 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.454 0.75 0 O4'-C1'-C2' 103.618 -2.256 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.43 H2'' ' C7 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 99.61 -2.207 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.482 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.033 0 C3'-C2'-C1' 99.278 -2.444 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.482 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.002 0 C3'-C2'-C1' 99.74 -2.114 . . . . 3.58 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C5'-C4'-C3' 116.327 1.085 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.62 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 100.092 -1.863 . . . . 3.83 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.62 ' C8 ' H2'' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 105.309 -0.719 . . . . 3.32 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.402 " H5'" H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C3'-C2'-C1' 98.832 -2.763 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-C2' 104.536 -1.421 . . . . 2.35 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C5'-C4'-C3' 115.929 0.819 . . . . 1.81 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ' DC' . . . . . 0.745 H2'' " O5'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.527 0.923 0 C3'-C2'-C1' 105.131 1.736 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . 0.745 " O5'" H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 P--O3' 1.62 1.075 0 C3'-C2'-C1' 101.076 -1.16 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.703 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.52 -0.813 0 C1'-O4'-C4' 107.021 -1.914 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.703 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 101.458 -0.887 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.878 0 O4'-C1'-C2' 104.588 -1.374 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.509 H2'' " O4'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.532 0.763 0 C3'-C2'-C1' 105.323 1.874 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.509 " O4'" H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -0.985 0 C3'-C2'-C1' 105.451 1.965 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.529 ' OP2' ' HG ' ' A' ' 6' ' ' LEU . . . . . . . . 0 P--O3' 1.595 -0.996 0 C3'-C2'-C1' 104.887 1.562 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.695 " H2'" ' C5 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 105.834 2.239 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.695 ' C5 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 110.766 0.761 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.411 -0.716 0 N19-C1'-C2' 115.877 1.048 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.611 H2'' ' C5 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 101.794 -0.647 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' ' DT' . . . . . 0.611 ' C5 ' H2'' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 C3'-C2'-C1' 105.75 2.178 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . 0.466 " H2'" ' C5 ' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.819 0 C4'-C3'-C2' 105.092 1.892 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ' DC' . . . . . 0.466 ' C5 ' " H2'" ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.23 0 C3'-C2'-C1' 101.213 -1.062 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ' DC' . . . . . 0.507 H2'' ' C8 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 C3'-C2'-C1' 100.173 -1.805 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 101.496 -0.86 . . . . 4.14 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.726 -0.472 . . . . 6.17 109.726 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -104.46 112.84 65.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 111.826 0.306 . . . . 5.64 111.826 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.97 89.52 0.77 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.455 2.103 . . . . 4.41 111.281 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.473 HG22 ' HB3' ' A' ' 8' ' ' ASP . 2.5 p -71.21 105.38 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.774 -0.648 . . . . 2.44 111.531 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.514 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 2.2 p -111.03 -171.34 1.81 Allowed 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.078 -0.51 . . . . 2.24 109.658 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.536 ' CD1' ' HB2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -58.66 -22.78 57.77 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.722 0.296 . . . . 1.86 111.753 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -71.1 -28.39 64.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 2.37 110.726 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.473 ' HB3' HG22 ' A' ' 4' ' ' VAL . 30.4 t0 -87.94 -46.23 9.56 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.317 -0.401 . . . . 2.12 110.094 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.416 HG21 ' O ' ' A' ' 5' ' ' THR . 37.1 t -59.92 -26.96 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.825 -0.625 . . . . 1.42 110.071 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.83 75.93 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.936 -0.575 . . . . 1.54 110.49 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.68 -51.74 66.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.859 0.361 . . . . 2.45 110.429 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -56.05 -31.44 63.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.566 -0.743 . . . . 2.54 110.637 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.4 -18.74 29.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.897 -0.592 . . . . 1.37 112.1 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.63 21.54 61.7 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 120.603 -0.808 . . . . 1.23 112.479 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.75 -171.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 117.344 0.572 . . . . 1.54 110.085 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -89.66 169.74 11.06 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.295 0.569 . . . . 1.92 110.513 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.536 ' HB2' ' CD1' ' A' ' 6' ' ' LEU . 4.5 p90 -66.42 -18.28 65.27 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.911 -0.586 . . . . 1.16 112.571 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.45 ' HG2' ' N7 ' ' C' ' 5' ' ' ' DG' . 40.2 tp60 -67.99 -34.96 77.51 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.902 -0.407 . . . . 2.78 109.902 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.54 83.93 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.086 -0.506 . . . . 1.86 110.231 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.473 ' O ' HG23 ' A' ' 23' ' ' VAL . 13.0 t -67.58 -43.67 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.768 0.318 . . . . 2.09 110.157 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 m -60.9 -31.65 71.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.589 0.709 . . . . 1.93 111.005 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -72.13 -34.23 68.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.432 0.901 . . . . 5.06 113.432 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 20' ' ' VAL . 33.2 m -78.51 -12.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 118.345 0.521 . . . . 2.28 111.217 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.57 -50.0 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.586 0.708 . . . . 2.3 109.538 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -90.91 -64.4 1.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.147 -0.933 . . . . 1.67 111.87 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.95 -73.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.185 0.439 . . . . 3.85 112.185 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.44 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 57.1 27.28 13.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.068 -0.514 . . . . 1.9 111.873 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.16 -82.64 0.62 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.182 0.515 . . . . 2.53 111.542 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -85.44 90.4 7.94 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.723 -0.671 . . . . 4.45 111.479 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.476 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.0 t -134.17 79.82 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.672 0.272 . . . . 2.16 110.484 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.43 ' HB2' ' OP1' ' C' ' 4' ' ' ' DA' . 21.6 t 60.07 -2.64 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.525 -0.762 . . . . 1.99 112.415 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.476 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 59.03 23.0 11.11 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.552 0.692 . . . . 1.81 110.613 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.84 -57.11 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.97 -1.013 . . . . 4.64 110.421 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.74 31.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 1.96 112.068 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.475 HH21 ' HG2' ' A' ' 36' ' ' GLU . 13.3 ttp85 -82.67 -45.76 14.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.887 0.851 . . . . 3.94 109.164 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.475 ' HG2' HH21 ' A' ' 35' ' ' ARG . 84.7 mt-10 -80.94 -19.6 43.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.801 -1.091 . . . . 2.64 111.581 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.01 -65.42 0.62 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.812 0.339 . . . . 4.06 110.166 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.1 t -62.4 -36.63 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.954 -0.566 . . . . 2.38 111.456 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.95 -32.24 71.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.063 -0.255 . . . . 1.84 111.336 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.07 -26.77 25.13 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 109.463 -0.569 . . . . 1.65 109.463 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.06 67.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.033 -0.53 . . . . 1.56 110.496 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.0 ptm -60.81 -34.74 74.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.109 -0.496 . . . . 2.16 109.786 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.92 -36.53 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.675 -0.693 . . . . 1.9 110.889 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -44.19 89.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.215 -0.902 . . . . 2.08 111.826 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -95.68 4.06 53.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.863 -0.608 . . . . 1.71 112.004 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.6 t30 57.34 48.21 15.29 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.265 1.031 . . . . 2.06 110.387 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.514 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 13.2 t80 -72.0 125.3 26.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.504 -1.225 . . . . 2.65 111.692 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.414 ' C ' ' H ' ' A' ' 50' ' ' ASN . 5.4 tp -110.35 105.04 56.85 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.008 -0.996 . . . . 2.63 109.455 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.728 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 23.2 Cg_exo -67.38 15.25 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.043 3.162 . . . . 0.98 114.527 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' H ' ' C ' ' A' ' 48' ' ' ILE . 60.9 m-80 59.92 -171.97 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.981 0.42 . . . . 1.55 111.44 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.463 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 11.0 ptt85 -135.31 -34.77 0.85 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.652 -0.419 . . . . 4.19 110.712 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 84.6 m -89.43 -22.33 22.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.394 0.516 . . . . 2.17 112.394 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.12 89.55 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.261 0.35 . . . . 1.46 110.863 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.91 -35.25 80.12 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.033 -0.531 . . . . 1.83 111.19 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -71.96 -69.55 0.38 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.211 0.448 . . . . 2.58 112.211 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 tp -53.43 -17.37 1.91 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.998 1.481 . . . . 1.97 114.998 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.67 -57.93 7.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.091 -0.643 . . . . 1.86 110.659 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.94 43.38 1.72 Allowed Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 119.62 -1.276 . . . . 2.76 112.588 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' HE3' H5'' ' C' ' 10' ' ' ' DC' . 13.0 ttmt 53.24 -145.16 0.61 Allowed 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.82 0.364 . . . . 7.59 110.811 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 58.48 -163.52 0.21 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.327 0.651 . . . . 6.96 111.631 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -12.54 23.12 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.703 0.287 . . . . 7.52 111.469 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.47 0.539 0 CA-C-N 116.29 -0.414 . . . . 9.13 110.455 -179.663 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttm . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 121.409 0.624 . . . . 7.87 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -155.06 96.63 2.5 Favored Pre-proline 0 N--CA 1.442 -0.831 0 CA-C-N 115.328 -0.851 . . . . 8.22 110.431 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.11 -172.94 1.11 Allowed 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 123.08 2.52 . . . . 3.43 111.642 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.35 156.46 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.969 -0.56 . . . . 2.36 110.158 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.558 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 37.0 p -130.47 167.94 17.82 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.489 0.493 . . . . 1.79 110.369 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -78.76 -20.4 50.01 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.788 -0.449 . . . . 1.86 109.788 179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -81.83 -27.91 33.36 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.41 -0.814 . . . . 1.23 110.302 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -49.67 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.06 0.457 . . . . 1.81 111.058 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.97 -12.65 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.603 -0.726 . . . . 2.13 111.673 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.99 -51.18 6.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.016 0.436 . . . . 1.71 110.985 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.4 -40.35 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.29 -0.868 . . . . 2.73 110.276 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -61.6 -41.0 96.82 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 2.44 110.9 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -85.5 -10.03 56.62 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.51 111.811 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.34 32.2 83.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.258 -0.973 . . . . 1.59 111.362 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 m -97.74 176.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.576 -0.312 . . . . 2.42 110.996 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -91.01 11.55 22.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.647 -0.706 . . . . 2.41 112.146 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.407 ' HB3' ' O ' ' B' ' 16' ' ' SER . 34.6 t80 73.54 -60.59 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.589 0.355 . . . . 3.02 111.627 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.577 ' OE1' ' C5 ' ' D' ' 6' ' ' ' DC' . 7.0 mp0 -58.91 -29.28 66.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.754 0.312 . . . . 3.62 111.323 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . 0.447 ' O ' HG21 ' B' ' 23' ' ' VAL . 0.2 OUTLIER -62.85 -36.92 84.85 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.154 -0.475 . . . . 1.98 110.617 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.35 -45.97 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 115.895 -0.593 . . . . 2.22 110.336 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -35.44 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.113 -0.494 . . . . 1.99 112.132 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.468 ' NH2' ' HB3' ' B' ' 26' ' ' GLN . 10.4 mmm180 -79.63 -31.23 41.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 122.104 -0.372 . . . . 5.92 110.587 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.447 HG21 ' O ' ' B' ' 19' ' ' THR . 64.2 t -64.35 -39.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.492 -0.483 . . . . 2.29 111.054 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 m -87.26 -20.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.946 0.35 . . . . 2.47 111.946 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -110.27 -73.41 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.362 0.505 . . . . 4.26 112.362 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . 0.468 ' HB3' ' NH2' ' B' ' 22' ' ' ARG . 18.5 tm0? -150.45 104.12 3.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.266 0.555 . . . . 5.51 110.864 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' B' ' 22' ' ' ARG . . . -94.05 125.25 38.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.566 -0.743 . . . . 3.0 111.175 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -108.82 -78.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.264 -0.426 . . . . 4.2 111.143 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -102.49 48.81 0.86 Allowed 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 110.044 -0.354 . . . . 3.3 110.044 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -99.19 122.06 50.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.74 -0.664 . . . . 1.81 110.714 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -73.02 141.55 47.68 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.229 0.538 . . . . 2.3 110.452 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.35 -17.09 62.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.328 -0.396 . . . . 2.11 111.842 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -67.15 -34.47 77.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.868 0.366 . . . . 4.02 111.424 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -22.65 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.532 . . . . 2.2 110.524 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.632 ' O ' HG23 ' B' ' 38' ' ' VAL . 25.8 ttt180 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.197 -0.91 . . . . 3.97 111.895 -178.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -34.63 78.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 122.007 0.908 . . . . 1.96 111.068 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -61.84 -34.86 76.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.18 -0.918 . . . . 3.21 112.361 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.632 HG23 ' O ' ' B' ' 35' ' ' ARG . 3.0 m -75.61 -22.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.246 -0.434 . . . . 2.05 111.3 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.25 -53.82 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.793 -0.447 . . . . 2.27 109.793 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.88 -40.31 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.176 -0.92 . . . . 1.73 111.155 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.428 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.062 -0.517 . . . . 1.21 112.082 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 19.2 ptp -61.85 -33.34 74.0 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.483 0.49 . . . . 2.04 111.183 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.79 42.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.56 0.578 . . . . 1.79 112.56 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.86 -43.29 46.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.239 0.543 . . . . 2.19 111.856 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -90.89 -6.34 54.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.187 -0.46 . . . . 1.75 111.841 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 t30 60.69 77.6 0.32 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 124.136 0.898 . . . . 2.35 110.898 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -74.47 122.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.35 111.302 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.6 125.1 24.38 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.674 -1.232 . . . . 1.8 107.674 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.51 103.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.72 2.28 . . . . 1.5 111.815 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.39 96.17 2.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.075 -0.966 . . . . 2.08 110.533 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . 0.525 ' HD3' ' OE1' ' B' ' 54' ' ' GLN . 30.8 mmt-85 -79.78 86.88 5.3 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.813 0.816 . . . . 3.98 110.0 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.48 -64.4 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 113.528 -1.669 . . . . 1.9 108.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.03 7.38 21.61 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.962 -0.563 . . . . 1.62 110.395 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.525 ' OE1' ' HD3' ' B' ' 51' ' ' ARG . 96.8 mt-30 -90.55 -44.06 9.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.206 -0.452 . . . . 1.93 110.152 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.439 ' HB2' ' HA ' ' B' ' 60' ' ' GLN . 2.0 pt20 -71.57 -32.8 68.49 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.613 1.197 . . . . 3.88 108.187 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.434 HD22 ' N2 ' ' D' ' 12' ' ' ' DG' . 19.1 tp -86.39 49.54 1.82 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.558 -1.655 . . . . 1.91 110.092 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.84 -13.04 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 2.13 112.142 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.78 -64.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.321 -0.466 . . . . 2.35 112.917 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -131.96 134.74 45.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.827 0.346 . . . . 6.55 110.846 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.439 ' HA ' ' HB2' ' B' ' 55' ' ' GLN . 24.3 mp0 -62.05 -31.79 72.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.835 -0.62 . . . . 7.12 110.879 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -138.37 141.53 39.65 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.964 -0.562 . . . . 7.17 110.298 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.375 -0.821 . . . . 9.08 110.178 179.527 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' -1' ' ' ' DC' . . . . . 0.97 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.746 0 C3'-C2'-C1' 99.189 -2.508 . . . . 5.49 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.467 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.223 0 C3'-C2'-C1' 98.886 -2.724 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.467 ' C8 ' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.791 -2.078 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.481 " H1'" ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.01 0 C3'-C2'-C1' 99.838 -2.044 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' ' DA' . . . . . 0.481 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.457 1.027 0 O4'-C1'-C2' 103.511 -2.354 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.45 ' N7 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C3'-C2'-C1' 99.689 -2.151 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.436 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.513 -0.58 0 O4'-C1'-C2' 103.982 -1.926 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.072 0 C3'-C2'-C1' 99.161 -2.528 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.62 -2.2 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 103.784 -2.105 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.459 H5'' ' HE3' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 103.597 -2.275 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.621 1.172 0 C3'-C2'-C1' 99.446 -2.324 . . . . 1.08 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.558 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.507 -0.972 0 C3'-C2'-C1' 99.343 -2.398 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.895 0 C3'-C2'-C1' 99.748 -2.109 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.451 " H1'" ' C6 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.86 0 C3'-C2'-C1' 99.532 -2.263 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . 0.451 ' C6 ' " H1'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.679 0 O4'-C1'-C2' 103.569 -2.301 . . . . 1.86 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.431 " H2'" ' OP2' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.031 0 C3'-C2'-C1' 99.98 -1.943 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 99.462 -2.313 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 C3'-C2'-C1' 99.283 -2.441 . . . . 2.45 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.47 H2'' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.973 0 C3'-C2'-C1' 99.513 -2.277 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.47 ' C6 ' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 C3'-C2'-C1' 98.991 -2.649 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.456 0.873 0 C3'-C2'-C1' 99.269 -2.45 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 99.245 -2.468 . . . . 3.58 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O5'-P-OP2 106.485 -0.672 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.471 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.75 0 C3'-C2'-C1' 99.329 -2.408 . . . . 3.83 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.471 ' C8 ' H2'' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C1'-O4'-C4' 110.618 0.656 . . . . 3.32 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.539 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.871 0 C3'-C2'-C1' 100.643 -1.469 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.539 ' C7 ' H2'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 105.251 -0.772 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.51 H2'' ' C5 ' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 101.308 -0.994 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ' DC' . . . . . 0.577 ' C5 ' ' OE1' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.509 -0.839 0 O4'-C4'-C3' 106.263 0.663 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.594 0 C3'-C2'-C1' 101.961 -0.528 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.717 H2'' " O4'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 105.087 1.705 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.727 H2'' " O5'" ' D' ' 10' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.763 0 C2'-C3'-O3' 112.607 0.743 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . 0.727 " O5'" H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 99.606 -2.21 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 1.085 H2'' " O5'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.006 0 O4'-C4'-C3' 104.089 -1.511 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 1.085 " O5'" H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.623 1.369 0 C1'-O4'-C4' 111.123 1.016 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.728 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 O5'--C5' 1.422 -1.146 0 C1'-O4'-C4' 106.428 -2.337 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.712 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.201 0 O4'-C4'-C3' 104.242 -1.358 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.712 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C1'-O4'-C4' 110.446 0.533 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.49 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 N19-C1'-C2' 115.279 0.675 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.48 ' H6 ' " O5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.663 0 C1'-O4'-C4' 111.001 0.929 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.62 1.102 0 N19-C1'-C2' 115.696 0.935 . . . . 3.05 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . 0.605 H2'' " O5'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 N19-C1'-C2' 115.805 1.003 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ' DC' . . . . . 0.605 " O5'" H2'' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 C4'-C3'-C2' 104.144 0.944 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ' DC' . . . . . 0.538 H2'' ' C8 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C4'-C3'-C2' 104.705 1.505 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' ' DG' . . . . . 0.97 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 99.869 -2.022 . . . . 4.14 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.807 0.337 . . . . 6.17 110.271 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -94.03 149.02 36.23 Favored Pre-proline 0 C--O 1.235 0.307 0 N-CA-C 109.538 -0.542 . . . . 5.64 109.538 179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo -77.97 74.94 5.04 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.416 2.077 . . . . 4.41 114.05 -178.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p -88.63 102.95 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 121.524 0.678 . . . . 2.44 109.406 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.468 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 46.9 p -121.01 -169.16 1.79 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.373 0.606 . . . . 2.24 112.109 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.464 ' HG ' ' OP2' ' D' ' 13' ' ' ' DC' . 0.1 OUTLIER -52.03 -25.53 8.72 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.871 -1.059 . . . . 1.86 111.54 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -76.65 -38.05 55.26 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.537 -0.301 . . . . 2.37 110.717 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.66 -52.79 18.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.578 0.227 . . . . 2.12 110.54 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.48 -33.81 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.098 -0.501 . . . . 1.42 111.123 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.66 -57.59 10.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.511 -0.768 . . . . 1.54 111.354 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.54 -40.07 86.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.431 -0.804 . . . . 2.45 110.819 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -60.07 -42.76 95.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.051 -0.522 . . . . 2.54 111.518 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.67 -23.43 36.89 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.407 -0.36 . . . . 1.37 111.915 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.22 27.19 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.864 -0.684 . . . . 1.23 112.514 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.403 ' HB ' ' OG1' ' A' ' 19' ' ' THR . 3.5 m -137.12 -173.0 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 C-N-CA 122.733 0.413 . . . . 1.54 109.935 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.1 p -96.15 177.16 5.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.393 . . . . 1.92 110.033 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -67.59 -18.9 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.374 -0.376 . . . . 1.16 111.194 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -69.73 -41.69 74.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 2.78 111.106 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.403 ' OG1' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -66.21 -41.41 90.16 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.315 -0.402 . . . . 1.86 110.513 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.39 -33.41 61.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.484 0.659 . . . . 2.09 110.919 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.413 ' HB3' ' OP2' ' D' ' 14' ' ' ' DT' . 58.0 m -82.75 -30.03 29.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.768 -0.651 . . . . 1.93 112.154 -179.061 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -57.67 -24.67 57.88 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.017 0.747 . . . . 5.06 113.017 -177.21 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.02 -46.41 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.936 -0.477 . . . . 2.28 111.793 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.67 -21.49 13.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 111.846 0.313 . . . . 2.3 111.846 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -77.19 -59.07 2.93 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.24 -0.436 . . . . 1.67 112.051 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -136.66 -29.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.183 0.438 . . . . 3.85 112.183 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.58 65.39 0.47 Allowed 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.927 0.491 . . . . 1.9 111.376 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 m -104.78 -142.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.53 109.529 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.55 74.56 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.89 0.852 . . . . 4.45 111.889 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 ' C ' ' H ' ' A' ' 32' ' ' ALA . 12.2 t -88.3 77.49 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 115.066 -0.97 . . . . 2.16 109.661 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.406 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 31.4 t 67.1 -40.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.278 0.986 . . . . 1.99 113.192 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.466 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 69.89 9.83 7.26 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 108.101 -1.074 . . . . 1.81 108.101 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.86 -38.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 113.969 -1.469 . . . . 4.64 110.486 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -104.2 3.64 33.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.334 -0.546 . . . . 1.96 111.081 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.45 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -60.12 -57.11 14.25 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.238 -0.437 . . . . 3.94 110.119 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.79 -37.14 86.6 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.918 -0.583 . . . . 2.64 109.768 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -54.17 -43.65 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 4.06 111.039 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.85 -43.74 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.719 0.637 . . . . 2.38 110.348 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 42.2 mt-10 -60.35 -54.38 46.39 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.472 -0.785 . . . . 1.84 110.674 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.63 78.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.479 -0.782 . . . . 1.65 111.15 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.33 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.575 -0.739 . . . . 1.56 111.557 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.5 ttm -59.19 -39.13 81.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.719 . . . . 2.16 111.384 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.81 23.79 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.14 -0.482 . . . . 1.9 110.983 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -59.99 -55.0 39.43 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.918 0.71 . . . . 2.08 112.918 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.2 mt -80.3 -12.94 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.27 0.47 . . . . 1.71 112.27 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 72.91 105.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.358 0.599 . . . . 2.06 109.599 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.468 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 10.8 t80 -141.83 131.59 24.21 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.776 -0.647 . . . . 2.65 110.0 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.494 ' C ' ' H ' ' A' ' 50' ' ' ASN . 4.6 tt -118.42 106.63 44.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.524 . . . . 2.63 110.896 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.699 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 34.8 Cg_exo -66.12 19.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.037 2.491 . . . . 0.98 113.786 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.494 ' H ' ' C ' ' A' ' 48' ' ' ILE . 22.4 m-80 59.84 -174.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.369 0.604 . . . . 1.55 111.235 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ptm85 -123.97 -33.21 3.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.252 0.549 . . . . 4.19 111.558 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -120.93 -0.04 10.16 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.171 -0.468 . . . . 2.17 112.261 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.07 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.09 0.472 . . . . 1.46 110.495 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -86.64 6.89 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.742 -0.663 . . . . 1.83 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.589 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 40.6 mt-30 -118.88 32.66 6.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.207 -0.452 . . . . 2.58 112.015 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.1 tp -115.36 -30.06 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.529 0.681 . . . . 1.97 111.3 -178.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.53 23.34 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.046 -0.409 . . . . 1.86 111.522 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.6 151.39 5.73 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.403 -0.679 . . . . 2.76 111.403 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.589 ' NZ ' ' HB3' ' A' ' 55' ' ' GLN . 55.4 mmtt -109.97 -12.13 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.575 0.226 . . . . 7.59 110.86 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 53.6 -105.4 0.25 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.626 -0.715 . . . . 6.96 111.123 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.0 m -96.54 74.38 2.8 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.611 0.719 . . . . 7.52 109.346 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.0 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 114.337 -1.301 . . . . 9.13 110.94 -179.23 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.676 ' SD ' ' HD2' ' B' ' 3' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.621 0.248 . . . . 7.87 110.717 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.461 ' H ' ' HD2' ' B' ' 3' ' ' PRO . 0.3 OUTLIER -130.67 -55.64 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.447 -0.342 . . . . 8.22 111.888 -179.276 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.676 ' HD2' ' SD ' ' B' ' 1' ' ' MET . 94.8 Cg_endo -83.8 166.74 13.24 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.266 1.977 . . . . 3.43 113.737 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p -97.31 167.73 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 CA-C-N 114.852 -1.067 . . . . 2.36 109.564 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.54 161.74 41.49 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 124.754 1.284 . . . . 1.79 108.62 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -24.33 60.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.237 0.541 . . . . 1.86 111.205 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -63.5 -27.89 69.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 1.23 110.874 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -62.53 -59.17 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 1.81 110.587 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.58 -33.61 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.846 -0.616 . . . . 2.13 111.473 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.35 71.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.166 -0.47 . . . . 1.71 111.324 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.71 -35.15 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.757 0.28 . . . . 2.73 111.757 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -65.29 -44.36 88.21 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.29 0.567 . . . . 2.44 111.249 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -84.61 -18.54 35.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.065 -0.516 . . . . 1.51 112.349 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.41 35.11 75.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 119.902 -1.142 . . . . 1.59 111.009 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 5.3 m -92.2 163.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 2.42 111.193 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -89.83 33.75 0.85 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.258 -0.428 . . . . 2.41 111.55 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 67.46 -47.12 0.49 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.557 0.743 . . . . 3.02 112.751 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.608 ' HG2' ' H41' ' C' ' 15' ' ' ' DC' . 0.0 OUTLIER -65.41 -24.78 67.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.26 0.624 . . . . 3.62 111.844 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.56 76.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.871 0.693 . . . . 1.98 112.871 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.428 ' O ' HG21 ' B' ' 24' ' ' VAL . 0.2 OUTLIER -84.21 -35.61 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.817 0.673 . . . . 2.22 112.817 -178.475 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 2.9 p -63.21 -34.17 77.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.759 0.314 . . . . 1.99 111.683 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.409 ' HD3' ' OE1' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -75.75 -37.17 59.56 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 112.535 0.568 . . . . 5.92 112.535 -179.021 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.456 HG22 HG22 ' B' ' 38' ' ' VAL . 60.0 t -65.96 -34.45 70.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.353 0.597 . . . . 2.29 110.602 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.428 HG21 ' O ' ' B' ' 20' ' ' VAL . 19.0 t -81.22 -29.63 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.056 -0.52 . . . . 2.47 110.375 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.83 -81.77 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.639 0.237 . . . . 4.26 111.639 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -154.1 88.84 1.26 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.219 0.533 . . . . 5.51 111.146 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 110.79 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 3.0 110.622 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -111.83 -45.61 3.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.206 -0.452 . . . . 4.2 112.004 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.0 62.41 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.551 -0.46 . . . . 3.3 111.819 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t -116.17 116.27 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.19 -1.041 . . . . 1.81 108.19 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 24.8 p -61.11 144.31 53.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.499 0.19 . . . . 2.3 111.04 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.8 -33.21 34.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 2.11 111.414 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.0 -55.04 40.09 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.167 -0.469 . . . . 4.02 111.499 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.09 -14.68 55.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.3 0.571 . . . . 2.2 110.996 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.48 -23.83 65.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.556 -0.747 . . . . 3.97 111.733 -179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -88.42 -31.83 18.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.137 0.494 . . . . 1.96 110.29 179.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 8.2 mmmt -61.25 -27.69 68.63 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.613 -0.721 . . . . 3.21 112.061 -179.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.456 HG22 HG22 ' B' ' 23' ' ' VAL . 29.5 m -73.12 -32.29 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.86 0.362 . . . . 2.05 111.623 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.37 -46.28 87.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.34 -0.391 . . . . 2.27 110.883 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.19 -40.5 77.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.119 0.485 . . . . 1.73 110.764 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.15 -56.48 7.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.931 -0.577 . . . . 1.21 112.508 -179.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 55.9 mtm -61.76 -29.76 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.82 0.674 . . . . 2.04 112.82 -177.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.04 -38.62 16.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.516 0.561 . . . . 1.79 112.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.32 -48.6 69.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.899 0.38 . . . . 2.19 111.883 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 96.7 mt -95.74 -2.84 47.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.426 -0.352 . . . . 1.75 111.709 -178.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 55.26 67.62 0.99 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.144 -0.48 . . . . 2.35 111.77 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -65.23 120.56 12.96 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.254 0.549 . . . . 1.35 111.369 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mt -117.32 121.9 31.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 108.625 -0.88 . . . . 1.8 108.625 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.01 96.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.812 2.341 . . . . 1.5 111.868 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -81.51 118.32 22.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.522 -0.763 . . . . 2.08 111.406 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 55.3 mtp180 -81.05 104.25 11.41 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 122.008 0.909 . . . . 3.98 110.457 178.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -167.11 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.084 -1.416 . . . . 1.9 108.032 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.52 5.27 28.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 1.62 110.5 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -88.05 -46.58 9.2 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.951 0.881 . . . . 1.93 109.055 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.467 ' HG2' ' O ' ' B' ' 60' ' ' GLN . 42.3 mt-30 -71.04 -39.68 72.15 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.591 -1.186 . . . . 3.88 109.513 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.578 ' HG ' ' O2 ' ' D' ' 11' ' ' ' DC' . 13.6 tp -63.32 -27.28 69.21 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.004 -0.998 . . . . 1.91 110.875 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.65 58.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.047 0.388 . . . . 2.13 112.047 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.82 -49.97 0.87 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.867 -0.682 . . . . 2.35 112.662 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -81.32 88.72 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.07 0.462 . . . . 6.55 109.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.467 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 49.9 mt-30 -62.12 -74.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.051 -0.977 . . . . 7.12 111.362 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -152.25 23.86 0.63 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.191 -0.459 . . . . 7.17 109.893 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 41.4 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.557 -0.735 . . . . 9.08 111.052 -178.707 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' -1' ' ' ' DC' . . . . . 0.956 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C3'-C2'-C1' 99.246 -2.467 . . . . 5.49 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.518 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.454 0.752 0 C3'-C2'-C1' 99.131 -2.549 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.575 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.021 0 O4'-C1'-C2' 103.877 -2.021 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.575 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 98.948 -2.68 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 C3'-C2'-C1' 99.61 -2.207 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.43 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.023 0 C3'-C2'-C1' 99.63 -2.193 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.43 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.05 0 C3'-C2'-C1' 99.801 -2.07 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 99.551 -2.249 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -0.965 0 C3'-C2'-C1' 99.605 -2.21 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.091 0 C3'-C2'-C1' 99.343 -2.398 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.558 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.937 0 O4'-C1'-C2' 103.895 -2.005 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.558 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 103.767 -2.121 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 O4'-C1'-C2' 103.675 -2.204 . . . . 0.98 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.014 0 C3'-C2'-C1' 99.585 -2.225 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.461 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 C3'-C2'-C1' 99.903 -1.998 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . 0.608 ' H41' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.51 -0.753 0 O4'-C1'-C2' 103.852 -2.043 . . . . 1.86 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . 0.601 ' C8 ' H2'' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.51 -0.753 0 C3'-C2'-C1' 99.738 -2.115 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C3'-C2'-C1' 99.835 -2.046 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.42 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 C3'-C2'-C1' 99.449 -2.322 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.434 ' C8 ' ' H71' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 P--O3' 1.596 -0.924 0 C3'-C2'-C1' 99.275 -2.446 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.458 H2'' ' C7 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 98.975 -2.661 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.627 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 98.894 -2.718 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.627 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 C3'-C2'-C1' 99.29 -2.436 . . . . 3.58 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C3'-C2'-C1' 100.621 -1.485 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.416 " H1'" ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C3'-C2'-C1' 99.372 -2.377 . . . . 3.83 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.416 ' C8 ' " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.407 -0.986 0 C4'-C3'-C2' 104.611 1.411 . . . . 3.32 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.511 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.746 -2.11 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.511 ' C7 ' H2'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 101.125 -1.125 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.453 0.636 0 O4'-C1'-N19 108.876 1.345 . . . . 1.81 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C4'-C3'-C2' 104.031 0.831 . . . . 1.98 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.888 0 C3'-C2'-C1' 100.145 -1.825 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.516 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 C3'-C2'-C1' 105.226 1.804 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.516 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 102.059 -0.458 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.924 0 C3'-C2'-C1' 99.835 -2.047 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.578 ' O2 ' ' HG ' ' B' ' 56' ' ' LEU . . . . . . . . 0 O4'--C4' 1.439 -0.657 0 C3'-C2'-C1' 105.625 2.09 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.465 " C5'" H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 105.127 1.927 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.699 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C1'-O4'-C4' 107.383 -1.655 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.786 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 C4'-C3'-C2' 101.592 -1.608 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.786 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C1'-O4'-C4' 110.387 0.491 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.495 H2'' " O5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 105.437 1.955 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.495 " O5'" H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.6 0 O4'-C4'-C3' 104.156 -1.444 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' ' DT' . . . . . 0.48 ' C6 ' " H2'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.56 0 C3'-C2'-C1' 102.098 -0.43 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . 0.577 H2'' " O5'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 104.177 0.977 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ' DC' . . . . . 0.577 " O5'" H2'' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 107.167 0.97 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.412 -0.588 0 O4'-C1'-C2' 104.672 -1.298 . . . . 3.77 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' ' DG' . . . . . 0.956 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.554 0 C1'-O4'-C4' 110.409 0.507 . . . . 4.14 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 mtt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 110.472 -0.196 . . . . 6.17 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -86.74 154.21 55.72 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.338 -0.616 . . . . 5.64 109.338 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -61.88 89.79 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.457 2.105 . . . . 4.41 111.063 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 m -94.77 167.31 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.533 0 CA-C-N 115.745 -0.661 . . . . 2.44 109.632 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.567 HG21 ' N ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -152.09 -168.41 3.06 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 124.245 0.966 . . . . 2.24 110.389 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.567 ' N ' HG21 ' A' ' 5' ' ' THR . 2.0 pp -55.3 -8.1 0.29 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.899 1.074 . . . . 1.86 113.899 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 2.5 m-30 -81.64 -46.96 13.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.465 -0.569 . . . . 2.37 109.465 178.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.6 -50.25 7.85 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.287 -0.869 . . . . 2.12 111.978 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.76 -34.36 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.901 -0.59 . . . . 1.42 111.201 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.551 ' HB2' ' O ' ' A' ' 6' ' ' LEU . . . -59.75 -56.85 16.67 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.158 -0.474 . . . . 1.54 110.856 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.76 -39.43 80.96 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 110.238 -0.282 . . . . 2.45 110.238 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.616 ' CD2' HD12 ' A' ' 45' ' ' LEU . 88.4 t80 -57.65 -54.96 41.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.11 -0.495 . . . . 2.54 110.387 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.1 -18.68 62.52 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.98 0.363 . . . . 1.37 111.98 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.95 22.72 24.78 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 119.661 -1.257 . . . . 1.23 112.435 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 m -132.07 -168.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.84 0.353 . . . . 1.54 110.777 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -109.97 -179.9 3.92 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.464 -0.569 . . . . 1.92 109.464 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 19.9 p90 -79.16 -6.78 57.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.657 0.614 . . . . 1.16 112.657 -178.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -75.98 -34.67 59.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.392 0.615 . . . . 2.78 109.477 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.463 ' O ' HG21 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -68.63 -42.8 77.52 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.605 -0.725 . . . . 1.86 109.822 179.327 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.79 -41.83 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.983 -0.553 . . . . 2.09 109.892 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 t -55.76 -31.27 62.43 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.955 -0.566 . . . . 1.93 110.6 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -80.97 -32.52 34.38 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.654 -0.419 . . . . 5.06 111.02 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.497 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 53.2 t -69.49 -35.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 2.28 111.16 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 m -80.41 -20.3 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 CA-C-O 121.282 0.563 . . . . 2.3 111.448 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -92.93 -56.12 3.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.349 -0.842 . . . . 1.67 112.479 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.497 0.554 . . . . 3.85 112.497 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.497 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . 62.56 27.94 16.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.516 0.674 . . . . 1.9 110.844 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 p -88.13 -79.34 0.3 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.768 -0.651 . . . . 2.53 111.479 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.45 88.19 6.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.934 0.397 . . . . 4.45 111.116 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.511 ' C ' ' H ' ' A' ' 32' ' ' ALA . 57.0 t -124.03 83.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.959 -0.564 . . . . 2.16 110.223 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.7 m 64.58 -21.81 0.07 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.759 1.022 . . . . 1.99 113.759 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.511 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 74.07 -5.5 2.04 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.993 0.917 . . . . 1.81 110.49 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -128.31 -35.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 4.64 111.182 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 27.55 7.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.238 0.542 . . . . 1.96 111.774 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.48 -48.32 14.12 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.704 -0.68 . . . . 3.94 111.201 -177.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -19.79 39.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.441 -0.345 . . . . 2.64 110.261 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -46.44 89.1 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.407 0.521 . . . . 4.06 112.407 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 t -57.23 -37.29 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.926 0.393 . . . . 2.38 110.979 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -57.57 -42.38 82.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.985 0.422 . . . . 1.84 111.26 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.12 -32.91 56.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.299 -0.864 . . . . 1.65 111.269 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.65 87.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.237 -0.438 . . . . 1.56 111.099 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.9 mtm -61.01 -41.42 96.5 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.229 0.538 . . . . 2.16 110.727 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.21 -29.34 62.74 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.858 -0.61 . . . . 1.9 111.644 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -43.96 61.95 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.955 0.724 . . . . 2.08 112.955 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.616 HD12 ' CD2' ' A' ' 12' ' ' TYR . 16.4 mt -87.47 -15.83 36.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.999 0.428 . . . . 1.71 110.98 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 73.74 93.81 0.08 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.065 -1.087 . . . . 2.06 108.065 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.542 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 4.5 t80 -137.92 139.13 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.844 -1.071 . . . . 2.65 110.802 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.481 ' C ' ' H ' ' A' ' 50' ' ' ASN . 36.8 mm -125.16 114.67 26.06 Favored Pre-proline 0 N--CA 1.445 -0.687 0 CA-C-N 115.852 -0.613 . . . . 2.63 109.922 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -64.07 26.03 0.07 OUTLIER 'Trans proline' 0 N--CA 1.483 0.858 0 C-N-CA 123.787 2.992 . . . . 0.98 114.424 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.481 ' H ' ' C ' ' A' ' 48' ' ' ILE . 9.3 m-20 57.89 169.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.689 0.996 . . . . 1.55 113.689 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -113.72 -22.17 10.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.652 1.215 . . . . 4.19 108.051 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -128.96 117.51 21.07 Favored 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.566 -1.652 . . . . 2.17 107.136 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 178.68 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.693 -0.685 . . . . 1.46 111.661 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.16 -14.65 61.11 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.228 -0.896 . . . . 1.83 111.788 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' SG ' ' B' ' 52' ' ' CYS . 19.6 mp0 -91.9 17.7 8.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.124 0.488 . . . . 2.58 110.826 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.28 11.06 4.94 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.091 0.472 . . . . 1.97 110.973 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.45 141.48 28.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.467 -0.333 . . . . 1.86 110.454 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 154.73 85.2 0.05 OUTLIER Glycine 0 CA--C 1.505 -0.58 0 C-N-CA 120.558 -0.829 . . . . 2.76 112.236 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -128.66 136.38 50.57 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.576 -0.528 . . . . 7.59 109.576 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.441 HE21 ' HB2' ' A' ' 60' ' ' GLN . 0.9 OUTLIER -117.86 142.29 47.48 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.333 -0.394 . . . . 6.96 109.99 179.523 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.21 -47.64 70.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.011 0.434 . . . . 7.52 110.7 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 tp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.774 -0.648 . . . . 9.13 110.604 179.361 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mtp . . . . . 0 C--O 1.236 0.353 0 CA-C-O 120.938 0.399 . . . . 7.87 110.055 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . 0.429 ' HB3' ' HD3' ' B' ' 3' ' ' PRO . 46.3 tttp -170.59 -55.36 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.164 -0.926 . . . . 8.22 110.66 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . 0.429 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 65.6 Cg_endo -75.04 168.26 25.21 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.695 1.596 . . . . 3.43 111.121 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . 0.456 HG22 ' HA ' ' B' ' 47' ' ' TYR . 3.5 m -141.57 142.9 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 116.168 -0.469 . . . . 2.36 110.589 -179.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.551 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 39.3 p -65.71 162.29 18.89 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.517 -0.765 . . . . 1.79 111.769 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.61 -14.2 62.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 1.86 111.573 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -71.65 -37.36 70.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.017 -1.105 . . . . 1.23 108.017 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.92 -50.64 72.61 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.12 -0.945 . . . . 1.81 109.171 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t -60.95 -50.7 79.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 114.423 -1.262 . . . . 2.13 111.33 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.35 -48.43 74.24 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 123.069 0.231 . . . . 1.71 111.016 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.61 -41.63 92.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.579 0.704 . . . . 2.73 110.917 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -67.38 -32.94 74.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.508 -0.769 . . . . 2.44 112.562 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.85 -17.96 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.559 -0.291 . . . . 1.51 111.547 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.88 34.85 46.85 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 120.758 -0.734 . . . . 1.59 112.346 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.91 -168.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.516 0.158 . . . . 2.42 110.893 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' SER . . . . . 0.412 ' O ' HG21 ' B' ' 20' ' ' VAL . 18.2 p -92.95 169.22 10.6 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.699 0.761 . . . . 2.41 112.546 -178.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -71.08 -16.64 62.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.285 -1.325 . . . . 3.02 110.994 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.522 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -87.38 -54.78 4.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.23 0.538 . . . . 3.62 110.402 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -28.12 56.75 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.305 0.854 . . . . 1.98 113.305 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.436 ' O ' HG22 ' B' ' 24' ' ' VAL . 10.7 m -78.34 -32.48 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 N-CA-C 112.487 0.551 . . . . 2.22 112.487 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -81.21 -36.27 30.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.335 0.588 . . . . 1.99 111.679 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 27.2 mmm180 -72.41 -35.75 68.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.503 0.557 . . . . 5.92 112.503 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.62 -17.89 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.606 0.566 . . . . 2.29 112.428 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.436 HG22 ' O ' ' B' ' 20' ' ' VAL . 92.5 t -57.39 -63.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.274 -0.269 . . . . 2.47 110.274 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -173.49 35.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.704 -0.48 . . . . 4.26 109.704 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -119.35 -27.63 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.798 -0.361 . . . . 5.51 111.578 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -146.74 145.41 29.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 3.0 111.276 -179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.53 -4.81 22.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.055 0.455 . . . . 4.2 110.029 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.98 40.48 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 3.3 112.523 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.8 t -120.37 138.0 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 1.81 110.266 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -62.55 146.94 50.52 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.147 -0.478 . . . . 2.3 110.043 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.68 88.45 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.065 -0.516 . . . . 2.11 111.545 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.08 -26.56 66.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.809 -0.632 . . . . 4.02 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.3 m -87.31 -34.14 18.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.356 0.598 . . . . 2.2 110.476 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . 0.437 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.85 -28.15 64.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.678 -0.692 . . . . 3.97 111.852 -177.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.83 -35.19 72.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.139 0.495 . . . . 1.96 110.912 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -70.78 -44.78 65.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.566 -0.743 . . . . 3.21 110.997 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.95 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.11 -0.495 . . . . 2.05 111.308 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 7.5 mt-10 -66.08 -39.42 90.01 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.646 -0.501 . . . . 2.27 109.646 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.65 -37.18 80.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.944 0.402 . . . . 1.73 110.318 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.99 66.13 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.846 0.355 . . . . 1.21 111.658 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' MET . . . . . 0.485 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 12.9 ptp -65.82 -30.54 71.18 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.636 -0.425 . . . . 2.04 111.133 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.89 34.87 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.234 0.54 . . . . 1.79 111.911 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -73.92 -41.28 62.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.553 -0.749 . . . . 2.19 110.771 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.34 -1.03 57.32 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.833 -0.621 . . . . 1.75 112.519 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 57.07 61.88 2.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 2.35 111.779 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . 0.485 ' HB3' ' HB2' ' B' ' 42' ' ' MET . 26.0 t80 -69.94 106.89 3.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 120.987 0.422 . . . . 1.35 110.588 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 68.8 mt -109.14 131.96 21.5 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 107.641 -1.244 . . . . 1.8 107.641 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.34 101.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.771 2.314 . . . . 1.5 111.97 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -71.7 119.89 16.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.782 -1.099 . . . . 2.08 111.675 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -84.74 -179.13 7.04 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.133 -1.062 . . . . 3.98 108.133 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 61.8 m 60.38 46.48 9.89 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.403 0.62 . . . . 1.9 109.562 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 171.25 -25.19 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.862 -1.517 . . . . 1.62 109.465 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -90.05 -35.51 15.44 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 125.034 1.459 . . . . 1.93 109.215 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . 0.491 ' HB2' ' HB2' ' B' ' 61' ' ' SER . 61.0 tt0 -85.47 -16.41 39.71 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.734 -0.839 . . . . 3.88 108.734 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.434 ' HG ' ' O2 ' ' D' ' 11' ' ' ' DC' . 9.5 tp -90.67 -35.31 15.02 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.584 -1.189 . . . . 1.91 110.334 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.66 -27.03 61.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.025 -0.534 . . . . 2.13 110.538 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.24 -115.41 0.32 Allowed Glycine 0 N--CA 1.438 -1.218 0 CA-C-N 115.475 -0.784 . . . . 2.35 111.551 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -146.2 59.64 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.766 0.283 . . . . 6.55 111.003 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.468 ' C ' ' HG ' ' B' ' 61' ' ' SER . 14.7 mt-30 -105.76 17.51 23.62 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.239 -0.584 . . . . 7.12 112.152 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' SER . . . . . 0.491 ' HB2' ' HB2' ' B' ' 55' ' ' GLN . 0.7 OUTLIER -161.89 165.29 27.85 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.694 -0.484 . . . . 7.17 109.694 179.264 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.476 ' HA ' ' NE2' ' B' ' 55' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.825 -1.084 . . . . 9.08 110.554 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' -1' ' ' ' DC' . . . . . 0.958 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.083 0 C3'-C2'-C1' 99.554 -2.247 . . . . 5.49 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.894 0 O4'-C1'-C2' 103.742 -2.143 . . . . 4.68 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.697 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 O4'-C1'-C2' 103.824 -2.069 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.697 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 99.1 -2.571 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' ' DA' . . . . . 0.486 H2'' ' C8 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 O4'-C1'-C2' 103.662 -2.216 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.486 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 O4'-C1'-C2' 103.735 -2.15 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.872 0 C3'-C2'-C1' 99.242 -2.47 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.073 0 C3'-C2'-C1' 99.191 -2.506 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.566 -2.239 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.953 0 C3'-C2'-C1' 99.654 -2.176 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.517 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 O4'-C1'-C2' 103.91 -1.991 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.517 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.158 0 C3'-C2'-C1' 99.554 -2.247 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.551 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 99.159 -2.529 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.438 H5'' ' NE2' ' B' ' 60' ' ' GLN . . . . . . . . 0 C2'--C1' 1.5 -1.512 0 C3'-C2'-C1' 99.193 -2.505 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.545 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.454 0.73 0 O4'-C1'-C2' 103.783 -2.106 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . 0.545 ' C5 ' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.64 -2.186 . . . . 1.86 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 104.097 -1.821 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . 0.413 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.882 0 C3'-C2'-C1' 99.173 -2.519 . . . . 2.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . 0.498 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.12 0 C3'-C2'-C1' 99.198 -2.501 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.507 ' C8 ' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.843 0 C3'-C2'-C1' 99.056 -2.603 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.507 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 C3'-C2'-C1' 99.149 -2.536 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.449 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.024 0 C3'-C2'-C1' 99.474 -2.304 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.449 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.136 0 C3'-C2'-C1' 99.563 -2.241 . . . . 3.58 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 101.334 -0.976 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.414 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.124 0 C3'-C2'-C1' 100.785 -1.368 . . . . 3.83 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.487 H2'' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 103.721 0.521 . . . . 3.32 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.487 ' C6 ' H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 99.467 -2.309 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.438 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.411 -0.72 0 C1'-O4'-C4' 107.451 -1.606 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.438 " O5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 O4'-C1'-N19 108.539 0.924 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ' DC' . . . . . 0.545 H2'' " O5'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 N19-C1'-C2' 115.411 0.757 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . 0.545 " O5'" H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C3'-C2'-C1' 101.345 -0.968 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.595 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-O4'-C4' 111.315 1.154 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.595 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 N19-C1'-C2' 115.62 0.887 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.597 -0.837 0 O4'-C4'-C3' 106.386 0.786 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.627 " H5'" ' C6 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 105.166 1.761 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.602 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 104.55 1.35 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.592 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 C3'-C2'-C1' 105.485 1.989 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.592 ' C6 ' " H2'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 104.971 1.622 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.477 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C4'-C3'-C2' 104.268 1.068 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.502 H2'' ' C6 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C1'-O4'-C4' 110.412 0.509 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.661 " H2'" ' C6 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.438 -0.709 0 C3'-C2'-C1' 105.017 1.655 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' ' DT' . . . . . 0.661 ' C6 ' " H2'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 C4'-C3'-C2' 104.172 0.972 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . 0.629 ' C8 ' " C2'" ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 N19-C1'-C2' 115.659 0.912 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ' DC' . . . . . 0.65 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.532 0.424 0 N19-C1'-C2' 115.664 0.915 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ' DC' . . . . . 0.65 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C3'-C2'-C1' 104.774 1.481 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' ' DG' . . . . . 0.958 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.537 0.867 0 O4'-C1'-C2' 105.025 -0.977 . . . . 4.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 121.245 0.545 . . . . 6.17 111.289 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.465 ' O ' HG11 ' A' ' 4' ' ' VAL . 5.6 tmtt? -129.15 136.49 29.25 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.312 -0.995 . . . . 5.64 108.312 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.38 94.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.41 2.74 . . . . 4.41 112.669 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.465 HG11 ' O ' ' A' ' 2' ' ' LYS . 17.1 m -86.97 179.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 115.274 -0.875 . . . . 2.44 108.888 178.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.509 ' HB ' " H2'" ' D' ' 12' ' ' ' DG' . 2.5 t -108.05 162.14 14.32 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.94 -0.573 . . . . 2.24 110.704 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.49 HD21 ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -54.95 -12.99 0.94 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.735 0.643 . . . . 1.86 112.735 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -67.34 -31.96 72.58 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.511 0.672 . . . . 2.37 110.034 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.48 -51.16 12.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.598 0.713 . . . . 2.12 110.823 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.56 -36.68 74.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 1.42 110.984 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.44 -44.09 89.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 1.54 111.351 179.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -41.76 97.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.058 0.456 . . . . 2.45 110.372 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.24 -32.7 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.268 -0.878 . . . . 2.54 110.784 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.13 -18.11 47.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.829 0.347 . . . . 1.37 111.927 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.74 22.58 52.88 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.104 -0.57 . . . . 1.23 113.295 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.24 -173.21 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 117.129 0.465 . . . . 1.54 110.845 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -85.61 160.17 19.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 1.92 110.971 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.6 p90 -62.17 -18.57 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.555 0.576 . . . . 1.16 112.555 -178.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.471 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 41.5 tp60 -70.57 -22.97 62.52 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.534 -0.543 . . . . 2.78 109.534 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.62 ' HA ' ' NH1' ' A' ' 22' ' ' ARG . 88.2 m -77.88 -32.78 52.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.939 0.4 . . . . 1.86 110.017 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 t -77.55 -35.87 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.753 -0.832 . . . . 2.09 108.753 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -75.26 -16.38 60.45 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.854 0.835 . . . . 1.93 109.332 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.62 ' NH1' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -74.04 -42.56 60.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 5.06 112.623 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.517 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 25.4 m -73.23 -17.7 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.176 0.806 . . . . 2.28 113.176 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.69 -36.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.161 0.505 . . . . 2.3 111.461 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -95.32 -32.87 12.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.335 0.865 . . . . 1.67 113.335 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -119.79 -60.86 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.087 -0.245 . . . . 3.85 110.952 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.517 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 65.83 24.36 11.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.693 0.621 . . . . 1.9 112.224 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -116.79 -65.56 1.17 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.903 -0.319 . . . . 2.53 111.332 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.03 73.06 5.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.236 0.541 . . . . 4.45 111.286 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 2.2 t -122.26 44.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.862 -0.422 . . . . 2.16 109.862 178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.31 1.82 1.73 Allowed 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.364 -0.38 . . . . 1.99 111.844 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.94 -52.59 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.02 0.928 . . . . 1.81 112.262 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 28.1 mmtp -67.57 -50.51 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.038 0.535 . . . . 4.64 112.192 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.415 ' O ' HG21 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -73.09 -14.72 61.45 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.274 0.472 . . . . 1.96 112.274 -178.675 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 1.8 tmt_? -52.09 -49.87 62.72 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 124.127 0.892 . . . . 3.94 112.132 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.74 -31.48 46.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.216 -0.902 . . . . 2.64 111.359 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -53.75 -56.3 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.735 0.647 . . . . 4.06 112.096 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.418 ' O ' ' HB3' ' A' ' 42' ' ' MET . 6.4 m -65.59 -27.91 42.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 112.507 0.558 . . . . 2.38 112.507 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.466 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 41.3 mt-10 -69.2 -40.05 78.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.853 0.358 . . . . 1.84 110.28 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.05 72.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.162 -0.472 . . . . 1.65 111.251 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.64 88.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 1.56 111.429 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.418 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 1.6 ptm -63.87 -34.87 78.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.117 -0.492 . . . . 2.16 111.881 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.45 32.63 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.918 -0.488 . . . . 1.9 109.809 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.23 -40.91 87.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.307 -0.86 . . . . 2.08 111.23 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.24 5.4 45.0 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.182 -0.463 . . . . 1.71 111.791 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.59 31.91 21.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.659 0.743 . . . . 2.06 110.635 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.58 143.41 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.011 -0.995 . . . . 2.65 110.764 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.506 ' C ' ' H ' ' A' ' 50' ' ' ASN . 1.7 pt -135.34 109.78 10.49 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.289 -0.634 . . . . 2.63 109.289 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.97 21.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.485 1.027 0 C-N-CA 123.222 2.615 . . . . 0.98 113.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' A' ' 48' ' ' ILE . 40.6 m-80 53.85 -150.87 0.37 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.304 -0.407 . . . . 1.55 110.131 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.39 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.608 -0.886 . . . . 4.19 108.608 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -30.49 53.09 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.312 -0.625 . . . . 2.17 109.312 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.3 -28.07 67.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.084 -0.507 . . . . 1.46 111.462 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -71.83 -11.22 60.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.01 -0.541 . . . . 1.83 110.352 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -102.08 26.33 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.216 0.531 . . . . 2.58 110.721 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.5 tp -138.16 60.97 1.6 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 1.97 109.57 178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.5 153.29 17.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 1.86 110.453 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.48 129.12 4.42 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 120.51 -0.853 . . . . 2.76 113.244 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -80.5 126.46 31.24 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.883 -0.327 . . . . 7.59 110.317 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.37 65.07 6.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.263 -0.426 . . . . 6.96 110.726 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -73.42 -19.72 60.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.702 -0.681 . . . . 7.52 110.774 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.7 tp . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 109.548 -0.538 . . . . 9.13 109.548 179.28 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 ttm . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.752 0.311 . . . . 7.87 110.22 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -115.47 121.06 35.23 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 8.22 109.931 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -83.68 156.63 13.92 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.508 2.139 . . . . 3.43 112.984 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p -168.98 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.953 -1.022 . . . . 2.36 109.079 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.581 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 0.0 OUTLIER -65.96 139.68 58.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.999 -1.0 . . . . 1.79 112.538 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -31.93 73.37 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.327 -0.851 . . . . 1.86 109.491 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -56.17 -40.38 73.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.663 -0.495 . . . . 1.23 109.663 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . 0.471 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.9 m-20 -56.72 -51.13 70.01 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.734 0.778 . . . . 1.81 110.532 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.36 -48.99 79.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 CA-C-N 114.491 -1.231 . . . . 2.13 112.027 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.79 88.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.968 0.413 . . . . 1.71 111.85 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.17 -44.08 97.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.229 -0.441 . . . . 2.73 110.281 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.41 -33.75 76.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.945 -0.571 . . . . 2.44 111.273 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.49 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.321 0.489 . . . . 1.51 112.321 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.65 38.36 91.43 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 121.722 -0.275 . . . . 1.59 112.586 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 32.5 m -131.43 -170.13 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.189 -0.3 . . . . 2.42 110.189 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -78.06 174.13 11.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.26 0.553 . . . . 2.41 110.699 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -26.49 37.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.523 -0.762 . . . . 3.02 110.022 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.637 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -79.76 -13.7 59.25 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.859 -0.336 . . . . 3.62 111.224 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.64 -20.9 23.12 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 112.578 0.585 . . . . 1.98 112.578 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -32.82 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 C-N-CA 120.737 -0.385 . . . . 2.22 111.929 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -44.18 17.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.282 0.563 . . . . 1.99 109.888 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.637 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 2.2 ttt180 -44.11 -37.13 2.91 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.791 1.236 . . . . 5.92 113.556 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 p -78.47 -14.74 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 112.059 0.392 . . . . 2.29 112.059 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.8 -72.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.015 0.436 . . . . 2.47 110.688 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -164.56 79.03 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.773 -0.649 . . . . 4.26 109.646 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -151.68 -66.3 0.18 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.182 0.515 . . . . 5.51 110.768 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.18 125.14 25.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.977 -0.556 . . . . 3.0 110.838 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -89.74 -18.75 25.76 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.448 0.642 . . . . 4.2 110.597 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . 0.441 ' HE1' ' OP1' ' D' ' 3' ' ' ' DT' . 4.1 t-80 -69.04 66.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.594 -1.184 . . . . 3.3 111.319 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 t -126.49 146.43 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.263 -0.88 . . . . 1.81 109.189 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.648 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 7.8 m -62.85 138.35 58.51 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.601 -0.518 . . . . 2.3 109.601 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -58.92 -39.38 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 2.11 110.751 -179.654 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.5 ' HA ' ' OE1' ' B' ' 36' ' ' GLU . 2.8 tptp -66.69 -30.03 70.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 4.02 111.563 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.648 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -82.25 -40.2 21.93 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.358 -0.383 . . . . 2.2 111.091 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -78.47 -21.89 48.37 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.851 0.686 . . . . 3.97 112.851 -177.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.5 ' OE1' ' HA ' ' B' ' 33' ' ' LYS . 11.9 pt-20 -64.08 -34.52 78.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.104 0.478 . . . . 1.96 110.5 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.14 -38.53 60.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.214 0.53 . . . . 3.21 110.595 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 21.7 t -64.39 -46.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 2.05 111.026 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.38 -38.41 80.43 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 123.8 0.687 . . . . 2.27 111.058 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.42 0.8 7.42 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 112.128 0.418 . . . . 1.73 112.128 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.29 -45.68 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.119 0.485 . . . . 1.21 110.735 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -30.11 69.9 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.319 -0.401 . . . . 2.04 111.733 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.87 -23.18 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.302 0.572 . . . . 1.79 111.03 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.11 -24.41 47.51 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.107 -0.951 . . . . 2.19 111.684 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -114.56 4.14 15.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.711 0.291 . . . . 1.75 111.143 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 58.9 t30 56.5 73.81 0.43 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.526 -0.761 . . . . 2.35 110.132 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -78.92 94.82 5.29 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.231 -0.441 . . . . 1.35 111.265 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -98.25 141.21 22.58 Favored Pre-proline 0 N--CA 1.442 -0.827 0 N-CA-C 107.037 -1.468 . . . . 1.8 107.037 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.91 106.58 0.11 Allowed 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 121.889 1.726 . . . . 1.5 112.158 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.455 ' HB3' H5'' ' C' ' 12' ' ' ' DC' . 63.6 t30 -59.71 119.43 7.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.98 -0.554 . . . . 2.08 111.647 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -82.37 162.86 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.67 . . . . 3.98 109.783 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m 61.99 51.54 3.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.374 0.607 . . . . 1.9 110.4 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 179.12 -24.62 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 123.262 1.506 . . . . 1.62 108.294 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' B' ' 50' ' ' ASN . 0.8 OUTLIER -88.45 -23.73 23.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.551 -1.204 . . . . 1.93 108.645 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -71.9 -40.13 69.07 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.168 -1.378 . . . . 3.88 109.68 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.53 ' HB3' ' H21' ' C' ' 11' ' ' ' DG' . 0.0 OUTLIER -74.96 -31.45 61.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.683 -1.144 . . . . 1.91 109.946 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.52 74.86 1.28 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 121.152 0.501 . . . . 2.13 110.614 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.48 -108.0 3.4 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 120.832 -0.699 . . . . 2.35 112.747 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -138.28 155.23 48.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.168 0.508 . . . . 6.55 111.312 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.19 119.55 14.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.191 -0.913 . . . . 7.12 110.111 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.19 149.04 33.79 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.112 -0.699 . . . . 7.17 109.112 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.978 -1.01 . . . . 9.08 111.151 -179.396 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' -1' ' ' ' DC' . . . . . 0.952 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 99.35 -2.393 . . . . 5.49 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.346 -2.395 . . . . 4.68 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.631 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 99.725 -2.125 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.631 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.454 0.686 0 C3'-C2'-C1' 99.597 -2.217 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' ' DA' . . . . . 0.477 H2'' ' C8 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 C3'-C2'-C1' 99.2 -2.5 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.477 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.887 -2.009 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.417 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 100.083 -1.869 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 99.646 -2.182 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 103.772 -2.116 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.401 H2'' ' C5 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.2 -2.5 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.401 ' C5 ' H2'' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.979 0 O4'-C1'-C2' 103.742 -2.143 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.558 H2'' ' C5 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.832 0 C3'-C2'-C1' 100.068 -1.88 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.581 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C3'-C2'-C1' 100.068 -1.88 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.408 H2'' ' C8 ' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.025 0 C3'-C2'-C1' 98.825 -2.768 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.408 ' C8 ' H2'' ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C3'-C2'-C1' 99.439 -2.329 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 103.819 -2.074 . . . . 1.86 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.62 1.083 0 C3'-C2'-C1' 99.239 -2.472 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.453 0.616 0 C3'-C2'-C1' 99.856 -2.031 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.009 0 C3'-C2'-C1' 99.196 -2.503 . . . . 2.45 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.597 -0.828 0 C3'-C2'-C1' 99.034 -2.619 . . . . 2.44 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.403 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.136 0 C3'-C2'-C1' 99.086 -2.581 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.403 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.169 0 C3'-C2'-C1' 99.085 -2.582 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.597 -0.844 0 C3'-C2'-C1' 99.371 -2.378 . . . . 3.58 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.023 0 C4'-C3'-C2' 104.029 0.829 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C3'-C2'-C1' 99.424 -2.34 . . . . 3.83 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C4'-C3'-C2' 103.88 0.68 . . . . 3.32 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.441 ' OP1' ' HE1' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.594 0 C3'-C2'-C1' 100.068 -1.88 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.577 " H2'" ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.614 0.603 0 C3'-C2'-C1' 101.347 -0.966 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.577 ' C8 ' " H2'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.455 0.78 0 C3'-C2'-C1' 100.979 -1.23 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ' DC' . . . . . 0.512 " C2'" ' C8 ' ' D' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.733 0 O4'-C1'-N19 108.277 0.596 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . 0.512 ' C8 ' " C2'" ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-N19 109.039 1.549 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.665 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.241 1.037 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.665 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 100.628 -1.48 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 101.097 -1.145 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.588 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.587 0 C3'-C2'-C1' 106.477 2.698 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.588 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.994 0 C3'-C2'-C1' 100.938 -1.259 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.492 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.519 -0.882 0 O4'-C4'-C3' 103.46 -2.14 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.651 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C4'-C3'-C2' 101.761 -1.439 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.651 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.41 -0.784 0 C4'-C3'-C2' 105.023 1.823 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.5 H2'' ' C5 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 100.989 -1.222 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.569 H2'' ' C6 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.534 0 N19-C1'-C2' 115.68 0.925 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' ' DT' . . . . . 0.569 ' C6 ' H2'' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 105.605 2.075 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . 0.54 ' C8 ' " H2'" ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C1'-O4'-C4' 110.32 0.443 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ' DC' . . . . . 0.434 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 N19-C1'-C2' 115.757 0.973 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ' DC' . . . . . 0.434 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 N19-C1'-C2' 115.649 0.906 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' ' DG' . . . . . 0.952 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 C5'-C4'-C3' 115.74 0.693 . . . . 4.14 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 109.915 -0.402 . . . . 6.17 109.915 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.471 ' HD2' ' O ' ' A' ' 45' ' ' LEU . 69.2 mttt -81.17 135.95 50.43 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.835 -0.62 . . . . 5.64 110.252 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -72.91 50.43 1.77 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.874 2.383 . . . . 4.41 112.283 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.7 t -101.9 131.07 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.566 0.698 . . . . 2.44 110.82 179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -129.64 176.06 8.31 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.383 -0.826 . . . . 2.24 109.016 179.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.462 HD12 ' N ' ' A' ' 7' ' ' TYR . 1.9 pp -49.97 -35.54 24.69 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.704 0.631 . . . . 1.86 112.704 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.462 ' N ' HD12 ' A' ' 6' ' ' LEU . 28.5 m-85 -64.36 -34.84 79.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.479 0.181 . . . . 2.37 111.482 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.6 -40.25 29.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.272 -0.422 . . . . 2.12 110.491 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.6 t -68.29 -35.16 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.082 0.468 . . . . 1.42 110.884 179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.08 -54.44 46.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.434 -0.803 . . . . 1.54 111.544 179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -64.27 -36.95 85.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.044 0.449 . . . . 2.45 110.69 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.416 ' CG ' HD11 ' A' ' 45' ' ' LEU . 50.6 t80 -63.45 -50.28 70.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.205 0.526 . . . . 2.54 110.692 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.41 -26.39 60.94 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.122 -0.631 . . . . 1.37 111.612 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.06 29.87 21.73 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.499 -0.858 . . . . 1.23 111.969 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.4 m -132.06 -173.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 N-CA-C 109.729 -0.471 . . . . 1.54 109.729 -179.322 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.7 p -73.98 164.13 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.971 0.415 . . . . 1.92 110.187 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 4.7 p90 -85.0 7.8 20.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.038 -0.528 . . . . 1.16 111.519 -179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.512 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -115.08 -10.75 12.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 120.455 -0.498 . . . . 2.78 111.503 -179.128 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -73.05 -42.52 63.03 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 117.818 0.281 . . . . 1.86 110.852 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.98 -35.03 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.165 0.507 . . . . 2.09 111.733 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -85.2 -14.89 45.44 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.786 -0.572 . . . . 1.93 110.776 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 14.9 tpt180 -70.46 -26.29 63.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.946 -0.57 . . . . 5.06 111.028 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.72 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 2.28 110.6 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.84 -22.67 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.637 -0.711 . . . . 2.3 112.369 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -77.16 -64.26 1.18 Allowed 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.541 -0.754 . . . . 1.67 112.04 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -146.07 -11.96 0.49 Allowed 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.862 0.69 . . . . 3.85 112.862 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.69 49.32 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.196 0.599 . . . . 1.9 111.623 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.51 -60.31 1.55 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.4 -0.818 . . . . 2.53 111.905 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -79.65 94.17 5.64 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 110.036 -0.357 . . . . 4.45 110.036 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.414 ' CG1' ' HG2' ' A' ' 35' ' ' ARG . 25.3 t -138.01 -31.21 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.619 -0.719 . . . . 2.16 111.064 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.503 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 3.6 t 63.94 5.13 2.22 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.808 0.843 . . . . 1.99 111.604 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.97 -43.03 0.55 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.476 0.71 . . . . 1.81 111.619 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.503 ' HG3' ' O ' ' A' ' 31' ' ' SER . 20.8 mtmt -58.61 -53.01 63.12 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 122.653 0.381 . . . . 4.64 111.252 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.61 60.08 6.02 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.396 0.517 . . . . 1.96 112.396 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.414 ' HG2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -99.6 -48.67 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 3.94 111.54 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -39.57 71.49 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.519 -0.309 . . . . 2.64 111.808 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.418 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 123.654 0.596 . . . . 4.06 112.078 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.43 -45.28 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.875 0 N-CA-C 112.197 0.443 . . . . 2.38 112.197 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.69 -42.5 83.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.665 -0.698 . . . . 1.84 111.809 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.01 63.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.632 -0.713 . . . . 1.65 111.218 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -51.71 64.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.923 -0.58 . . . . 1.56 112.403 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.0 ptp -65.16 -26.88 68.36 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.729 0.64 . . . . 2.16 112.729 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -43.12 14.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.403 0.52 . . . . 1.9 112.403 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.11 -42.99 99.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.404 0.89 . . . . 2.08 113.404 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.471 ' O ' ' HD2' ' A' ' 2' ' ' LYS . 96.0 mt -89.09 -11.39 44.16 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.642 0.608 . . . . 1.71 112.642 -177.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 2.8 t-20 68.13 97.03 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.071 -1.085 . . . . 2.06 108.071 -177.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.535 ' CE2' ' HG3' ' A' ' 49' ' ' PRO . 13.8 t80 -131.6 134.33 45.92 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.063 -0.517 . . . . 2.65 111.995 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.25 104.66 43.09 Favored Pre-proline 0 N--CA 1.456 -0.132 0 N-CA-C 108.431 -0.952 . . . . 2.63 108.431 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.535 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 81.7 Cg_exo -58.57 4.22 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 124.231 3.287 . . . . 0.98 115.728 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.76 ' HB2' ' OP1' ' D' ' 13' ' ' ' DC' . 0.9 OUTLIER 68.13 168.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.323 1.058 . . . . 1.55 113.58 177.623 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.58 -16.87 1.76 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.236 -1.347 . . . . 4.19 109.098 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.603 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -99.44 -51.25 3.83 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.233 -0.894 . . . . 2.17 112.632 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.32 64.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.029 0.442 . . . . 1.46 111.932 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.536 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 93.9 mt-30 -71.67 8.02 1.28 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.557 -0.747 . . . . 1.83 112.088 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -128.72 22.28 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.872 0.367 . . . . 2.58 111.245 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 tp -110.61 -4.17 15.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.083 -0.508 . . . . 1.97 110.965 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.47 ' HB1' ' H21' ' C' ' 9' ' ' ' DG' . . . -126.95 12.2 7.21 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.281 -0.567 . . . . 1.86 112.341 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.64 83.9 1.6 Allowed Glycine 0 C--N 1.315 -0.597 0 N-CA-C 111.666 -0.574 . . . . 2.76 111.666 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.443 ' HE3' H5'' ' C' ' 10' ' ' ' DC' . 46.0 mttp -73.31 -35.11 66.03 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.665 0.269 . . . . 7.59 110.695 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.37 112.36 22.24 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.943 -0.571 . . . . 6.96 110.904 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -23.6 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.48 -0.782 . . . . 7.52 110.832 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.779 -0.646 . . . . 9.13 109.514 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.0 mtp . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 121.245 0.545 . . . . 7.87 110.557 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 103.37 39.69 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.525 -0.761 . . . . 8.22 110.855 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.97 157.03 43.14 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.017 2.478 . . . . 3.43 113.459 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p -131.93 146.53 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 107.929 -1.137 . . . . 2.36 107.929 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.488 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 47.9 p -133.1 168.57 18.26 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 123.633 0.583 . . . . 1.79 109.684 -178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 mt -75.25 -14.1 60.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.834 0.826 . . . . 1.86 109.053 178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.82 -33.64 45.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.958 -1.019 . . . . 1.23 108.816 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.0 -39.68 93.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.058 -0.974 . . . . 1.81 110.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.26 -43.4 97.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.386 -1.279 . . . . 2.13 110.424 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.16 -24.07 62.18 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.768 0.794 . . . . 1.71 110.652 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.16 -53.72 11.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.705 -1.134 . . . . 2.73 110.558 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.404 ' CD2' ' HA ' ' B' ' 41' ' ' ALA . 54.4 t80 -62.74 -50.21 71.97 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.447 0.536 . . . . 2.44 112.447 -179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -67.68 -15.36 63.6 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 113.53 0.937 . . . . 1.51 113.53 -177.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.6 41.24 44.28 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 111.292 -0.723 . . . . 1.59 111.292 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.27 -174.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.318 0.247 . . . . 2.42 110.577 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.11 172.28 6.96 Favored 'General case' 0 N--CA 1.426 -1.634 0 O-C-N 123.87 0.731 . . . . 2.41 109.695 179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -77.24 61.52 2.13 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.756 0.822 . . . . 3.02 109.525 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -161.56 -23.05 0.05 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.905 -1.146 . . . . 3.62 107.905 178.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.78 -15.06 24.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.796 -1.093 . . . . 1.98 109.036 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 m -88.01 -22.65 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 113.161 0.8 . . . . 2.22 113.161 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.8 -60.74 2.25 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.145 -0.934 . . . . 1.99 109.55 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.408 ' HD2' HG22 ' B' ' 30' ' ' VAL . 16.4 ptt180 -59.24 -18.96 41.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.254 0.835 . . . . 5.92 113.254 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.507 HG21 ' HB ' ' B' ' 38' ' ' VAL . 1.4 p -78.6 -14.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.317 -0.553 . . . . 2.29 110.833 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.99 -69.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 123.455 0.472 . . . . 2.47 111.185 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -152.71 27.04 0.56 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.968 0.413 . . . . 4.26 110.698 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -138.46 46.01 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.485 0.66 . . . . 5.51 110.566 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.99 88.11 4.43 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.741 -1.118 . . . . 3.0 110.754 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.9 p -77.59 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.41 -0.359 . . . . 4.2 110.373 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -123.95 43.16 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.368 -0.234 . . . . 3.3 110.368 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . 0.408 HG22 ' HD2' ' B' ' 22' ' ' ARG . 14.9 t -80.24 138.46 19.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.604 -0.517 . . . . 1.81 109.604 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.4 t -61.1 117.5 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.317 0.385 . . . . 2.3 110.407 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -25.55 50.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.845 -0.616 . . . . 2.11 112.087 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.493 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 93.6 mttt -59.39 -53.86 53.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.514 0.673 . . . . 4.02 111.114 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.467 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.3 OUTLIER -80.17 -26.4 39.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 2.2 111.882 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -31.01 71.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 3.97 111.583 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.493 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 4.2 pt-20 -77.94 -26.8 49.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.248 -0.282 . . . . 1.96 110.468 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -73.51 -40.24 64.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.911 0.386 . . . . 3.21 110.665 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.507 ' HB ' HG21 ' B' ' 23' ' ' VAL . 2.2 t -67.68 -35.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 119.987 -0.685 . . . . 2.05 109.281 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.65 -40.12 80.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.76 -0.459 . . . . 2.27 109.76 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.73 86.34 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.164 -0.68 . . . . 1.73 109.164 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . 0.404 ' HA ' ' CD2' ' B' ' 12' ' ' TYR . . . -62.22 -44.8 95.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.091 0.472 . . . . 1.21 110.948 179.119 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.9 mtm -63.07 -38.79 92.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 2.04 111.252 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.07 -36.18 66.81 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.488 0.492 . . . . 1.79 111.283 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.43 -48.34 56.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.277 -0.42 . . . . 2.19 111.532 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.22 -2.92 58.57 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.105 0.409 . . . . 1.75 112.105 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.06 52.67 5.0 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.703 0.763 . . . . 2.35 109.451 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -75.64 103.99 5.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.317 -0.856 . . . . 1.35 110.973 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mt -116.37 131.84 23.62 Favored Pre-proline 0 C--N 1.315 -0.898 0 N-CA-C 107.62 -1.252 . . . . 1.8 107.62 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -30.32 105.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.197 3.265 . . . . 1.5 113.302 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . 0.46 ' HB3' H5'' ' C' ' 12' ' ' ' DC' . 36.6 t30 -63.39 136.44 57.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.263 -0.88 . . . . 2.08 111.553 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.9 179.48 7.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.589 -0.732 . . . . 3.98 109.771 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.603 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.0 m 56.33 36.54 27.67 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 122.259 1.028 . . . . 1.9 109.983 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -168.27 -18.02 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 113.902 -1.499 . . . . 1.62 110.722 -178.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.4 mm-40 -85.85 -32.28 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.516 -0.766 . . . . 1.93 109.451 -179.025 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.83 -27.49 30.83 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.807 -0.812 . . . . 3.88 108.807 179.385 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . 0.527 ' HG ' ' O2 ' ' D' ' 11' ' ' ' DC' . 13.4 tp -81.64 -45.68 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.541 -1.209 . . . . 1.91 110.693 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.22 108.49 19.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.394 0.616 . . . . 2.13 110.687 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.91 -48.39 0.48 Allowed Glycine 0 C--N 1.314 -0.668 0 C-N-CA 119.885 -1.15 . . . . 2.35 111.79 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -71.22 92.62 1.02 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.726 -0.237 . . . . 6.55 111.347 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.65 -33.12 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.742 . . . . 7.12 110.083 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -102.96 108.81 20.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.206 -0.906 . . . . 7.17 109.095 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.595 -0.729 . . . . 9.08 110.686 -179.393 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' -1' ' ' ' DC' . . . . . 0.968 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.048 0 C3'-C2'-C1' 99.496 -2.289 . . . . 5.49 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.582 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.895 0 C3'-C2'-C1' 99.674 -2.161 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.582 ' C8 ' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-C2' 103.64 -2.236 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.551 " H1'" ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.512 -0.624 0 C3'-C2'-C1' 99.602 -2.213 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' ' DA' . . . . . 0.62 H2'' ' C8 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 103.463 -2.397 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.62 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.133 0 O4'-C1'-C2' 103.983 -1.924 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.792 0 O4'-C1'-C2' 103.908 -1.993 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . 0.432 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.843 0 C3'-C2'-C1' 99.573 -2.233 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.432 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.02 0 C3'-C2'-C1' 99.754 -2.105 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.47 ' H21' ' HB1' ' A' ' 57' ' ' ALA . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.137 -2.545 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.584 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.751 0 O4'-C1'-C2' 103.967 -1.939 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.584 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.961 0 C3'-C2'-C1' 99.606 -2.21 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.488 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.512 -0.611 0 C3'-C2'-C1' 99.519 -2.272 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.331 0 C3'-C2'-C1' 98.935 -2.689 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C3'-C2'-C1' 98.998 -2.644 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.155 0 O4'-C1'-C2' 104.171 -1.753 . . . . 1.86 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C3'-C2'-C1' 99.384 -2.369 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.529 -2.265 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.902 0 C3'-C2'-C1' 99.68 -2.157 . . . . 2.45 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 99.56 -2.243 . . . . 2.44 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.906 0 C3'-C2'-C1' 99.358 -2.387 . . . . 2.56 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.035 -2.618 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.002 0 C3'-C2'-C1' 99.263 -2.455 . . . . 3.58 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.528 0.953 0 C1'-O4'-C4' 107.378 -1.659 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C3'-C2'-C1' 101.005 -1.211 . . . . 3.83 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C4'-C3'-C2' 103.775 0.575 . . . . 3.32 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.63 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 99.252 -2.463 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.63 ' C7 ' H2'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 104.839 -1.146 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.429 " H5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 101.454 -0.89 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O5'-P-OP2 109.493 0.442 . . . . 1.98 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.411 -0.656 0 C3'-C2'-C1' 100.877 -1.302 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.753 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.886 0 C3'-C2'-C1' 104.664 1.403 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.753 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 C3'-C2'-C1' 100.766 -1.381 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . 0.467 " H5'" H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.818 0 O4'-C1'-C2' 104.579 -1.382 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.541 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C3'-C2'-C1' 104.443 1.245 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.541 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 111.072 0.98 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.76 ' OP1' ' HB2' ' A' ' 50' ' ' ASN . . . . . . . . 0 C4'--C3' 1.518 -0.964 0 O4'-C4'-C3' 102.814 -2.786 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.724 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.426 0.474 0 O4'-C4'-C3' 104.513 -1.087 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.724 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 104.983 1.63 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.599 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 N19-C1'-C2' 115.78 0.987 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.508 ' C5 ' H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 106.617 0.47 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' ' DT' . . . . . 0.425 H2'' ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C4'-C3'-C2' 104.161 0.961 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . 0.425 ' C8 ' H2'' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.526 0.834 0 C1'-O4'-C4' 106.526 -2.267 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.412 -0.635 0 O4'-C1'-C2' 104.98 -1.018 . . . . 3.75 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 104.049 0.849 . . . . 3.77 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' ' DG' . . . . . 0.968 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.411 -0.73 0 C4'-C3'-C2' 104.633 1.433 . . . . 4.14 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.561 ' SD ' ' HG2' ' A' ' 2' ' ' LYS . 4.7 ppp? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.552 0.215 . . . . 6.17 110.65 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.561 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 36.4 mmtt -91.61 141.27 25.62 Favored Pre-proline 0 N--CA 1.453 -0.286 0 N-CA-C 109.922 -0.399 . . . . 5.64 109.922 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -71.5 62.74 2.87 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.551 2.168 . . . . 4.41 112.701 -179.512 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.437 ' O ' ' HD1' ' A' ' 47' ' ' TYR . 34.6 m -62.4 149.0 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 115.952 -0.567 . . . . 2.44 111.311 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.488 ' HG1' H2'' ' D' ' 12' ' ' ' DG' . 0.0 OUTLIER -96.61 169.48 9.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.173 -0.467 . . . . 2.24 110.85 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.507 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -46.07 -26.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.39 0.676 . . . . 1.86 112.428 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -62.49 -40.93 98.27 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.704 0.288 . . . . 2.37 111.265 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.61 -35.08 62.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.208 0.528 . . . . 2.12 110.682 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.16 -37.3 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.236 -0.893 . . . . 1.42 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -53.24 60.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.502 -0.772 . . . . 1.54 110.846 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -62.09 -44.9 95.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 2.45 110.425 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -58.23 -38.82 77.59 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.887 -1.052 . . . . 2.54 111.804 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.83 -15.02 28.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 1.37 111.863 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.25 31.08 32.18 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 120.558 -0.829 . . . . 1.23 113.538 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.07 -164.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.346 -0.613 . . . . 1.54 109.346 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.455 ' HB3' " H2'" ' C' ' 5' ' ' ' DG' . 95.7 p -89.32 170.45 10.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.535 -0.542 . . . . 1.92 109.535 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.507 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 26.0 p90 -82.4 22.3 0.86 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.085 -0.507 . . . . 1.16 111.009 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -117.8 -32.7 4.74 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.641 -0.709 . . . . 2.78 109.944 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -37.95 81.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.591 0.71 . . . . 1.86 109.407 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.32 -31.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.138 -0.937 . . . . 2.09 112.15 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -81.71 -19.82 40.71 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.702 0.763 . . . . 1.93 109.93 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -60.81 -34.74 74.98 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.155 -0.929 . . . . 5.06 111.364 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.464 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 47.8 t -73.75 -56.33 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 115.627 -0.715 . . . . 2.28 111.4 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -19.98 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 113.297 0.851 . . . . 2.3 113.297 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -96.01 -57.88 2.24 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.747 0.647 . . . . 1.67 112.747 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -104.79 -54.59 2.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.228 0.455 . . . . 3.85 112.228 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 23' ' ' VAL . . . 64.5 38.04 7.69 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.821 -0.627 . . . . 1.9 110.757 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -108.69 -75.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.05 0.452 . . . . 2.53 110.779 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -109.43 78.66 1.15 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.972 -0.558 . . . . 4.45 110.846 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.536 ' C ' ' H ' ' A' ' 32' ' ' ALA . 20.7 t -93.89 58.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 2.16 109.96 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 32' ' ' ALA . 47.2 t 64.81 -18.67 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.531 -0.759 . . . . 1.99 112.774 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.536 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.52 -49.27 0.69 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.732 0.813 . . . . 1.81 111.105 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -88.89 -4.8 58.36 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.4 -0.364 . . . . 4.64 110.363 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.1 m -133.74 45.72 2.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.516 0.674 . . . . 1.96 111.408 -179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -102.35 -42.56 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.275 0.56 . . . . 3.94 110.217 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -39.5 77.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.716 -0.675 . . . . 2.64 110.312 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 12.0 mtmm -58.2 -43.65 87.71 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.497 -0.774 . . . . 4.06 112.783 -178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -74.59 -33.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.801 0.297 . . . . 2.38 111.801 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.0 -40.57 83.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.303 0.573 . . . . 1.84 110.136 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.3 -39.85 71.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.606 . . . . 1.65 110.577 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.12 97.3 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.941 -0.572 . . . . 1.56 111.531 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ptm -65.27 -35.45 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.864 -0.334 . . . . 2.16 111.535 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.74 63.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.683 0.277 . . . . 1.9 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.68 -49.55 74.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.397 0.618 . . . . 2.08 112.002 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' HB3' HG23 ' A' ' 4' ' ' VAL . 53.4 mt -86.2 2.6 46.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.369 -0.832 . . . . 1.71 112.138 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t30 57.03 36.99 28.46 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.582 0.706 . . . . 2.06 109.188 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.437 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 33.0 t80 -66.85 142.14 57.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.83 -0.623 . . . . 2.65 110.848 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.91 110.75 13.18 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.991 -1.004 . . . . 2.63 109.89 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -55.36 0.58 0.12 Allowed 'Trans proline' 0 N--CA 1.484 0.961 0 C-N-CA 123.047 2.498 . . . . 0.98 115.659 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 58.81 -168.34 0.14 Allowed 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.086 0.469 . . . . 1.55 111.604 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -148.49 -35.7 0.2 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.411 0.624 . . . . 4.19 109.775 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' HB3' ' CA ' ' B' ' 52' ' ' CYS . 63.6 m -64.28 -49.47 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.548 -0.751 . . . . 2.17 111.504 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.58 75.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.913 -0.585 . . . . 1.46 111.49 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.418 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 84.3 mt-30 -62.56 -20.88 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 1.83 112.536 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.26 15.39 22.37 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.26 0.553 . . . . 2.58 111.064 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.8 tp -106.67 -29.11 9.79 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.735 -0.469 . . . . 1.97 109.735 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -64.55 0.84 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.801 0.667 . . . . 1.86 112.801 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.75 90.66 0.22 Allowed Glycine 0 C--O 1.223 -0.592 0 C-N-CA 120.127 -1.035 . . . . 2.76 113.035 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.525 ' HA ' H5'' ' D' ' 15' ' ' ' DC' . 68.0 mttm -87.21 17.48 4.29 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.091 0.472 . . . . 7.59 110.945 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -130.71 159.93 35.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 6.96 109.828 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -70.58 117.35 11.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.769 0.795 . . . . 7.52 111.756 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 114.748 -1.115 . . . . 9.13 110.238 -179.399 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.457 -0.09 0 N-CA-C 110.245 -0.28 . . . . 7.87 110.245 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -123.58 96.87 42.86 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.286 -0.415 . . . . 8.22 109.969 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.27 125.46 7.81 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.243 1.962 . . . . 3.43 111.751 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -92.62 148.74 4.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.683 -0.69 . . . . 2.36 109.69 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' THR . . . . . 0.541 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 62.3 p -144.95 172.2 13.38 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.035 -1.098 . . . . 1.79 108.035 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 14.2 mt -71.58 -13.41 61.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.277 0.56 . . . . 1.86 110.643 179.225 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -83.49 -34.16 25.42 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.237 0.542 . . . . 1.23 109.924 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.72 -44.93 69.33 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.7 -0.682 . . . . 1.81 110.544 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 19.7 t -59.95 -36.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.838 -1.074 . . . . 2.13 110.499 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.44 72.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.065 -0.516 . . . . 1.71 111.72 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.69 -51.24 65.94 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.464 -0.789 . . . . 2.73 109.645 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.18 -39.03 88.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.521 -0.763 . . . . 2.44 111.061 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . 0.51 ' O ' ' HE2' ' B' ' 37' ' ' LYS . . . -69.97 -20.76 63.29 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.518 0.511 . . . . 1.51 111.679 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.98 71.71 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 121.289 -0.481 . . . . 1.59 113.009 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -137.48 178.99 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 122.551 -0.382 . . . . 2.42 110.13 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -91.5 177.72 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.861 0.839 . . . . 2.41 110.778 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -76.82 113.17 14.19 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.661 -0.7 . . . . 3.02 109.338 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 158.15 -58.8 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.65 1.18 . . . . 3.62 108.938 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -34.11 76.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.354 -0.839 . . . . 1.98 112.125 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . 0.523 ' O ' HG13 ' B' ' 23' ' ' VAL . 18.4 t -77.68 -39.06 26.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.787 0.662 . . . . 2.22 112.787 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -25.25 60.49 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.491 0.552 . . . . 1.99 112.491 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.88 -25.13 28.17 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 112.108 0.41 . . . . 5.92 112.108 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.523 HG13 ' O ' ' B' ' 20' ' ' VAL . 4.4 p -69.52 -24.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.657 -0.417 . . . . 2.29 111.178 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.21 -3.22 10.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 2.47 109.536 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -117.01 -73.88 0.63 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.545 -0.298 . . . . 4.26 111.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -165.09 77.39 0.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.294 0.569 . . . . 5.51 110.699 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.56 96.4 9.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.415 -0.811 . . . . 3.0 110.404 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.3 m -112.23 -41.48 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.731 -0.668 . . . . 4.2 110.257 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.99 32.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 3.3 111.519 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 t -118.46 144.99 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.189 -0.46 . . . . 1.81 109.768 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -65.76 -112.89 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.41 0.624 . . . . 2.3 112.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.63 -55.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.053 -0.404 . . . . 2.11 110.728 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -50.57 -41.98 54.99 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.769 0.668 . . . . 4.02 112.78 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -19.48 35.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.078 0.466 . . . . 2.2 111.615 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -73.51 -38.44 65.33 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.785 -0.643 . . . . 3.97 111.748 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -73.5 -31.18 63.59 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.48 -0.327 . . . . 1.96 110.92 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . 0.51 ' HE2' ' O ' ' B' ' 13' ' ' ALA . 49.2 mtpt -64.86 -42.49 94.82 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 122.282 -0.261 . . . . 3.21 110.789 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.31 -31.33 38.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 120.531 -0.467 . . . . 2.05 110.888 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.53 -48.43 77.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.382 -0.969 . . . . 2.27 108.382 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.93 91.97 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.417 -0.81 . . . . 1.73 110.655 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.93 -51.54 68.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.954 -0.567 . . . . 1.21 111.838 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -66.23 -29.11 69.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 121.189 -0.204 . . . . 2.04 111.281 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.03 -40.07 32.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.586 -0.279 . . . . 1.79 111.081 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.23 -51.23 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 2.19 110.782 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -85.23 -2.83 58.48 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.658 -0.247 . . . . 1.75 111.285 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 54.82 64.28 1.86 Allowed 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.734 -0.666 . . . . 2.35 110.349 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -68.11 126.58 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.641 0.734 . . . . 1.35 112.396 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 mt -129.65 125.29 22.25 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.949 -1.023 . . . . 1.8 108.25 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . 0.448 ' HB2' HD21 ' B' ' 62' ' ' LEU . 32.5 Cg_exo -54.74 95.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.667 2.245 . . . . 1.5 110.954 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -78.48 142.33 37.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.637 -1.165 . . . . 2.08 111.556 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -83.03 -163.17 0.69 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.796 -1.187 . . . . 3.98 107.796 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . 0.419 ' CA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m 55.61 48.4 18.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.011 1.386 . . . . 1.9 108.564 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 172.7 -13.1 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.046 -1.888 . . . . 1.62 109.402 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.87 -51.59 5.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.629 -0.714 . . . . 1.93 109.083 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -66.58 -37.29 84.61 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.062 -1.088 . . . . 3.88 108.062 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 17.2 tp -65.35 -37.14 86.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.651 -1.159 . . . . 1.91 110.325 177.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.72 -29.91 67.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 2.13 110.031 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.39 -64.18 0.61 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.724 -0.75 . . . . 2.35 112.766 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -107.53 146.43 31.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.797 0.299 . . . . 6.55 110.288 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . 0.439 HE21 ' HB3' ' B' ' 60' ' ' GLN . 3.6 mt-30 -102.8 105.89 16.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.791 0.329 . . . . 7.12 111.171 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.27 1.73 23.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.772 -0.649 . . . . 7.17 111.554 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.448 HD21 ' HB2' ' B' ' 49' ' ' PRO . 2.2 tp . . . . . 0 C--O 1.246 0.902 0 N-CA-C 108.872 -0.788 . . . . 9.08 108.872 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' -1' ' ' ' DC' . . . . . 0.973 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.201 0 C3'-C2'-C1' 99.175 -2.518 . . . . 5.49 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.777 0 C3'-C2'-C1' 99.647 -2.181 . . . . 4.68 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.618 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 103.713 -2.17 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.618 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 98.901 -2.714 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' ' DA' . . . . . 0.506 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.457 0.978 0 C3'-C2'-C1' 99.084 -2.583 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.455 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 C2'--C1' 1.509 -0.845 0 O4'-C1'-C2' 103.912 -1.989 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.771 0 C3'-C2'-C1' 99.549 -2.251 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.813 -2.062 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.5 H2'' ' C8 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.927 0 C3'-C2'-C1' 99.738 -2.116 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.5 ' C8 ' H2'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.072 0 C3'-C2'-C1' 99.152 -2.534 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.437 ' C4 ' ' C4 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 C3'-C2'-C1' 99.7 -2.143 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.408 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-C2' 103.855 -2.041 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . 0.541 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.506 -1.1 0 C3'-C2'-C1' 99.373 -2.376 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . 0.406 ' N7 ' ' C2 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.691 0 C3'-C2'-C1' 99.256 -2.46 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 C3'-C2'-C1' 99.347 -2.395 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.81 0 O4'-C1'-C2' 103.582 -2.289 . . . . 1.86 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 C3'-C2'-C1' 99.534 -2.261 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C3'-C2'-C1' 99.553 -2.248 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -1.408 0 C3'-C2'-C1' 98.555 -2.961 . . . . 2.45 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.452 ' C8 ' ' H71' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 P--O3' 1.593 -1.148 0 C3'-C2'-C1' 99.541 -2.256 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.452 ' H71' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.008 0 C3'-C2'-C1' 99.378 -2.373 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 99.074 -2.59 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.955 0 C3'-C2'-C1' 99.563 -2.241 . . . . 3.58 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.617 0.655 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C3'-C2'-C1' 101.305 -0.997 . . . . 3.83 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.614 " H2'" ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-C2' 107.352 1.138 . . . . 3.32 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.614 ' C6 ' " H2'" ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 100.47 -1.593 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.592 ' C6 ' H2'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C4'-C3'-C2' 104.038 0.838 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.448 H2'' ' C5 ' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C3'-C2'-C1' 101.451 -0.892 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ' DC' . . . . . 0.945 H2'' " O5'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C3'-C2'-C1' 105.604 2.075 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . 0.945 " O5'" H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 C3'-C2'-C1' 101.502 -0.856 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.547 H2'' " O4'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C4'-C3' 103.828 -1.772 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.547 " O4'" H2'' ' D' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 C3'-C2'-C1' 100.939 -1.258 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . 0.515 " O5'" H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.752 0 C3'-C2'-C1' 101.344 -0.968 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 105.296 1.854 . . . . 2.16 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.488 H2'' ' HG1' ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 C4'-C3'-C2' 102.198 -1.002 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.619 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.536 1.044 0 C3'-C2'-C1' 104.851 1.537 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.619 ' C6 ' " H2'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C3'-C2'-C1' 106.037 2.384 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.525 H5'' ' HA ' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-C2' 104.903 1.703 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.644 H2'' " O5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 105.735 2.168 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.644 " O5'" H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 101.139 -1.115 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' ' DT' . . . . . 0.471 " C2'" ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.809 0 C3'-C2'-C1' 105.612 2.08 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . 0.471 ' C8 ' " C2'" ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C4'-C3'-C2' 104.456 1.256 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ' DC' . . . . . 0.453 " H1'" " O4'" ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 105.255 1.825 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ' DC' . . . . . 0.453 " O4'" " H1'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.525 0.689 0 C4'-C3'-C2' 104.903 1.703 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' ' DG' . . . . . 0.973 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.96 0 C4'-C3'-C2' 104.738 1.538 . . . . 4.14 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.026 0.441 . . . . 6.17 110.098 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -126.06 153.09 73.99 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.364 -0.834 . . . . 5.64 109.304 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -70.05 82.71 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.194 1.929 . . . . 4.41 111.066 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.4 -177.68 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 CA-C-N 115.113 -0.949 . . . . 2.44 110.29 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.615 HG22 ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -139.47 -173.82 3.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.077 -0.965 . . . . 2.24 109.7 -178.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.615 ' N ' HG22 ' A' ' 5' ' ' THR . 2.2 pp -53.28 -21.54 5.64 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.646 0.609 . . . . 1.86 112.646 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.567 ' H ' HG22 ' A' ' 5' ' ' THR . 2.7 m-30 -66.17 -29.93 70.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 2.37 110.617 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -94.58 -45.78 7.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.251 0.548 . . . . 2.12 111.226 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.77 -34.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.401 -0.818 . . . . 1.42 111.85 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.85 74.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.531 -0.304 . . . . 1.54 111.234 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -65.25 -47.72 75.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.081 -0.509 . . . . 2.45 111.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -61.49 -38.44 87.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 2.54 111.267 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.94 -17.79 42.34 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.396 0.887 . . . . 1.37 113.396 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 31.38 58.94 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.922 -0.656 . . . . 1.23 113.894 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -138.89 173.97 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.764 -0.458 . . . . 1.54 109.764 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 p -73.28 170.68 14.52 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.051 -0.722 . . . . 1.92 109.051 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 5.2 p90 -75.92 -13.06 60.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.344 -0.542 . . . . 1.16 110.7 179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.511 HE22 ' N6 ' ' D' ' 16' ' ' ' DA' . 1.7 tt0 -69.27 -33.29 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 2.78 109.964 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -34.24 77.66 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.89 -0.596 . . . . 1.86 110.299 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.25 -38.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.573 -0.899 . . . . 2.09 108.573 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.1 m -63.12 -24.26 67.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.371 -0.831 . . . . 1.93 110.421 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -71.63 -51.87 20.96 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.411 0.523 . . . . 5.06 112.411 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -64.51 -27.31 42.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 112.829 0.677 . . . . 2.28 112.829 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 m -84.48 -29.5 7.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 O-C-N 121.781 -0.574 . . . . 2.3 110.685 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.46 -69.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.652 -0.249 . . . . 1.67 110.978 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -143.97 -12.11 0.65 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.761 0.652 . . . . 3.85 112.761 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.68 54.64 6.15 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.96 0.409 . . . . 1.9 110.946 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -82.8 0.32 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.39 0.614 . . . . 2.53 112.59 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -92.79 67.29 4.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.665 -0.414 . . . . 4.45 111.772 -177.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.526 ' C ' ' H ' ' A' ' 32' ' ' ALA . 1.9 t -101.43 37.75 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.464 -0.334 . . . . 2.16 111.27 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m 70.08 -25.89 0.16 Allowed 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.82 0.7 . . . . 1.99 112.081 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.526 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 77.7 -6.32 2.0 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.992 0.917 . . . . 1.81 110.688 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.27 7.36 4.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.287 0.565 . . . . 4.64 110.065 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.74 27.11 4.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.661 0.743 . . . . 1.96 109.584 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -93.54 -40.52 10.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.582 -0.735 . . . . 3.94 109.899 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -25.58 62.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.908 -0.775 . . . . 2.64 108.908 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -54.42 45.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.302 -1.317 . . . . 4.06 111.874 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -76.35 -28.16 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.636 -0.711 . . . . 2.38 112.163 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 42' ' ' MET . 25.3 mt-10 -68.12 -43.45 78.35 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.944 -0.473 . . . . 1.84 111.152 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.39 95.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 1.65 110.266 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.99 3.51 12.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.147 0.499 . . . . 1.56 111.601 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.471 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 15.3 ttp -88.49 -59.27 2.28 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.885 -1.154 . . . . 2.16 107.885 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.12 62.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.037 -0.529 . . . . 1.9 111.857 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 44' ' ' GLU . 0.8 OUTLIER -64.7 -48.73 73.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.601 0.963 . . . . 2.08 113.601 -178.744 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.94 -7.34 49.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.568 0.167 . . . . 1.71 111.278 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 76.94 54.28 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 123.41 1.576 . . . . 2.06 109.586 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 5.4 t80 -74.24 122.48 22.9 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.996 -1.456 . . . . 2.65 110.816 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.8 mm -114.32 102.65 54.97 Favored Pre-proline 0 N--CA 1.468 0.452 0 C-N-CA 123.914 0.886 . . . . 2.63 110.812 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.87 34.38 0.32 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.258 2.639 . . . . 0.98 113.466 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.493 HD22 H5'' ' D' ' 12' ' ' ' DG' . 63.8 m-80 49.56 -168.72 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.308 0.855 . . . . 1.55 113.308 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 51' ' ' ARG . 5.5 tpp180 -94.89 -66.93 0.88 Allowed 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 121.676 -0.64 . . . . 4.19 110.911 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.14 42.96 2.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.737 0.78 . . . . 2.17 112.169 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -19.17 64.73 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.541 -1.209 . . . . 1.46 111.45 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -81.59 -7.28 59.57 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.584 -0.735 . . . . 1.83 111.754 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -93.05 33.8 1.15 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.592 -0.443 . . . . 2.58 111.013 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.3 tp -129.73 3.6 4.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.805 0.812 . . . . 1.97 110.419 178.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.45 2.98 6.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.046 -0.979 . . . . 1.86 109.512 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.88 121.16 6.64 Favored Glycine 0 CA--C 1.5 -0.88 0 C-N-CA 120.193 -1.003 . . . . 2.76 110.695 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -105.47 134.72 48.11 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 109.443 -0.577 . . . . 7.59 109.443 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -15.48 50.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.698 0.285 . . . . 6.96 111.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.81 49.2 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.977 -0.556 . . . . 7.52 110.878 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.7 pt? . . . . . 0 C--O 1.237 0.403 0 CA-C-N 115.967 -0.561 . . . . 9.13 110.279 179.387 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 109.283 -0.636 . . . . 7.87 109.283 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -98.88 -54.4 0.19 Allowed Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.13 -0.941 . . . . 8.22 110.5 179.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 95.0 Cg_endo -85.13 174.4 7.22 Favored 'Trans proline' 0 C--N 1.363 1.305 0 C-N-CA 121.775 1.65 . . . . 3.43 112.048 178.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.35 136.51 46.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 108.823 -0.806 . . . . 2.36 108.823 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.9 p -68.65 164.13 22.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.535 0.939 . . . . 1.79 113.535 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.61 -17.46 61.68 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.423 -0.808 . . . . 1.86 109.796 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.03 -41.33 70.96 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.225 0.536 . . . . 1.23 109.931 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.46 -60.29 3.76 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 115.321 -0.854 . . . . 1.81 110.362 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 12.5 m -56.05 -26.16 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 116.051 -0.522 . . . . 2.13 111.152 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -74.79 -41.2 60.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.632 0.729 . . . . 1.71 110.499 179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.63 -50.17 65.99 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.417 -0.811 . . . . 2.73 111.661 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.438 ' CE2' ' HG2' ' B' ' 44' ' ' GLU . 36.0 t80 -62.98 -27.19 69.24 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.927 -0.579 . . . . 2.44 110.665 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -78.77 -14.59 59.19 Favored 'General case' 0 C--O 1.244 0.776 0 O-C-N 121.064 -1.022 . . . . 1.51 113.459 -179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.21 31.85 63.42 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.365 -0.922 . . . . 1.59 111.028 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 27.7 m -131.77 -169.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.02 -0.363 . . . . 2.42 110.02 -178.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -108.84 169.97 8.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.332 0.587 . . . . 2.41 112.231 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -78.75 65.14 3.91 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.069 0.938 . . . . 3.02 109.399 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . 0.514 ' O ' ' HD2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -167.14 -38.45 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 113.808 -1.542 . . . . 3.62 109.376 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -30.15 62.42 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.438 -0.801 . . . . 1.98 110.676 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 18.1 t -61.9 -61.81 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 113.9 -1.5 . . . . 2.22 111.265 179.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -61.47 -50.73 71.6 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.104 -0.638 . . . . 1.99 111.474 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ARG . . . . . 0.514 ' HD2' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -49.84 -46.5 51.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.899 0.703 . . . . 5.92 112.899 -177.748 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -11.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 114.561 1.319 . . . . 2.29 114.561 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.82 -62.63 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 120.842 0.354 . . . . 2.47 110.26 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.5 29.24 0.01 OUTLIER 'General case' 0 C--N 1.342 0.278 0 N-CA-C 108.834 -0.802 . . . . 4.26 108.834 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -122.04 18.08 10.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.219 -0.9 . . . . 5.51 111.29 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.38 171.57 20.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.881 0.372 . . . . 3.0 111.622 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -136.0 -56.97 0.77 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.132 -0.485 . . . . 4.2 111.827 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 69.62 10.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.081 0.4 . . . . 3.3 112.081 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 30.7 t -113.03 137.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 1.81 108.251 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -49.59 119.13 3.2 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.557 0.536 . . . . 2.3 111.178 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.51 -23.07 64.25 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.554 0.342 . . . . 2.11 111.495 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -68.45 -43.1 77.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 4.02 111.133 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' THR . . . . . 0.487 ' O ' HG21 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -86.27 -19.8 29.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.368 -0.378 . . . . 2.2 110.582 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -55.1 -51.46 66.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.943 -0.571 . . . . 3.97 110.527 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -23.11 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.93 -0.577 . . . . 1.96 111.546 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -70.64 -46.44 63.29 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.916 -0.49 . . . . 3.21 110.955 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' VAL . . . . . 0.487 HG21 ' O ' ' B' ' 34' ' ' THR . 14.5 t -63.79 -44.68 98.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 2.05 111.192 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -45.35 93.3 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 109.967 -0.383 . . . . 2.27 109.967 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.514 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -53.0 -39.89 63.43 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.42 -0.809 . . . . 1.73 111.039 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.69 -46.16 26.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.165 0.431 . . . . 1.21 112.165 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.3 mtm -57.21 -38.41 73.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 2.04 111.004 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -30.66 32.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.786 0.327 . . . . 1.79 111.282 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLU . . . . . 0.514 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 2.7 tp10 -56.27 -55.34 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 2.19 111.446 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.46 -7.5 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.009 -0.367 . . . . 1.75 110.009 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 62.08 80.72 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.831 -0.622 . . . . 2.35 110.899 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -66.31 117.36 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 1.35 111.71 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -120.34 126.93 26.57 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.048 -1.093 . . . . 1.8 108.048 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -40.62 110.18 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.553 2.836 . . . . 1.5 113.198 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -64.91 139.65 58.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 2.08 111.559 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -87.64 170.78 10.98 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.761 -0.654 . . . . 3.98 109.873 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 33.8 m 60.92 37.93 17.97 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 124.061 0.851 . . . . 1.9 109.962 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.38 -23.54 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 114.217 -1.356 . . . . 1.62 111.36 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -73.9 -32.36 63.54 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.233 -1.395 . . . . 1.93 107.233 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.72 -37.76 65.02 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.279 -1.328 . . . . 3.88 109.915 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -62.62 -60.01 4.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.141 -0.936 . . . . 1.91 110.638 179.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.05 79.9 9.22 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.723 -0.671 . . . . 2.13 111.822 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.55 -21.79 0.13 Allowed Glycine 0 C--N 1.339 0.711 0 C-N-CA 120.841 -0.695 . . . . 2.35 113.091 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 62' ' ' LEU . 1.8 mtpp -78.36 51.03 0.98 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.026 0.751 . . . . 6.55 113.026 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.24 -24.05 15.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.297 0.57 . . . . 7.12 110.393 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -134.31 20.9 3.69 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.61 -0.723 . . . . 7.17 110.143 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 25.6 tp . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.841 -1.076 . . . . 9.08 109.453 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' -1' ' ' ' DC' . . . . . 0.96 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 C3'-C2'-C1' 99.338 -2.401 . . . . 5.49 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ' DG' . . . . . 0.434 ' C2 ' ' C6 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.395 -2.36 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . 0.634 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.073 0 O4'-C1'-C2' 104.031 -1.881 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . 0.634 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.913 0 O4'-C1'-C2' 103.818 -2.075 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' ' DA' . . . . . 0.472 H2'' ' C8 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.906 0 C3'-C2'-C1' 99.854 -2.033 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ' DG' . . . . . 0.472 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 O4'-C1'-C2' 103.875 -2.022 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ' DT' . . . . . 0.412 ' C5 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 99.631 -2.192 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.456 0.935 0 C3'-C2'-C1' 99.374 -2.376 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . 0.406 H2'' ' C8 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.145 0 C3'-C2'-C1' 99.574 -2.233 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' ' DG' . . . . . 0.406 ' C8 ' H2'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.179 0 C3'-C2'-C1' 99.527 -2.267 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ' DC' . . . . . 0.584 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 103.752 -2.134 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' ' DG' . . . . . 0.584 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.891 0 C3'-C2'-C1' 99.849 -2.036 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.876 0 C3'-C2'-C1' 99.903 -1.998 . . . . 0.98 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.218 0 C3'-C2'-C1' 99.663 -2.169 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.488 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.823 0 C3'-C2'-C1' 99.162 -2.527 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' ' DC' . . . . . 0.488 ' C5 ' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.881 0 C3'-C2'-C1' 99.331 -2.406 . . . . 1.86 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.01 0 C3'-C2'-C1' 99.2 -2.5 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 99.189 -2.508 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.173 0 C3'-C2'-C1' 99.436 -2.332 . . . . 2.45 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.537 ' C8 ' ' H71' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.946 0 C3'-C2'-C1' 99.439 -2.33 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.537 ' H71' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 99.207 -2.495 . . . . 2.56 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ' DT' . . . . . 0.44 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.866 0 C3'-C2'-C1' 98.862 -2.741 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 103.85 -2.045 . . . . 3.58 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 100.658 -1.458 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ' DA' . . . . . 0.524 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.609 0 C3'-C2'-C1' 100.874 -1.304 . . . . 3.83 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ' DA' . . . . . 0.524 ' C8 ' H2'' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 C1'-O4'-C4' 110.792 0.78 . . . . 3.32 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ' DT' . . . . . 0.461 ' H71' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.971 0 C3'-C2'-C1' 101.365 -0.954 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' ' DT' . . . . . 0.604 " H2'" ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.521 -0.684 0 O4'-C4'-C3' 104.601 -0.999 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ' DG' . . . . . 0.604 ' C8 ' " H2'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C3'-C2'-C1' 100.999 -1.215 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ' DC' . . . . . 0.466 ' OP2' H2'' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.843 0 C3'-C2'-C1' 106.499 2.714 . . . . 1.98 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ' DG' . . . . . 0.438 ' C8 ' H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 P--O3' 1.624 1.412 0 C3'-C2'-C1' 100.646 -1.467 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' ' DT' . . . . . 0.439 H2'' " O4'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C3'-C2'-C1' 105.133 1.738 . . . . 2.83 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' ' DT' . . . . . 0.467 H2'' " H2'" ' D' ' 10' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.698 0 C3'-C2'-C1' 101.024 -1.197 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ' DG' . . . . . 0.467 " H2'" H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 100.247 -1.752 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' ' DC' . . . . . 0.644 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 C3'-C2'-C1' 105.575 2.053 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' ' DG' . . . . . 0.644 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.036 0 C4'-C3'-C2' 104.697 1.497 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' ' DC' . . . . . 0.541 ' C4 ' ' C5 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C1'-O4'-C4' 106.601 -2.213 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' ' DT' . . . . . 0.688 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 C3'-C2'-C1' 105.009 1.65 . . . . 1.47 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' ' DC' . . . . . 0.688 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 104.925 1.725 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' ' DA' . . . . . 0.661 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C3'-C2'-C1' 99.968 -1.951 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' ' DC' . . . . . 0.496 ' C5 ' H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C5'-C4'-C3' 116.081 0.92 . . . . 2.54 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' ' DT' . . . . . 0.653 H2'' " O4'" ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 C3'-C2'-C1' 105.335 1.882 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' ' DG' . . . . . 0.653 " O4'" H2'' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 O4'-C1'-C2' 107.478 1.253 . . . . 2.35 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ' DC' . . . . . 0.69 ' H6 ' " O5'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C1'-O4'-C4' 110.794 0.782 . . . . 3.75 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ' DC' . . . . . 0.505 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.535 0.733 0 O4'-C1'-C2' 104.396 -1.549 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' ' DG' . . . . . 0.96 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.595 0 C4'-C3'-C2' 102.307 -0.893 . . . . 4.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 8' ' ' ASP . 2.4 p . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.728 0.775 . . . . 1.84 110.197 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 p -110.42 -168.43 1.31 Allowed 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.653 -0.703 . . . . 2.09 109.986 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.4 pt? -54.1 -16.32 1.94 Allowed 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.68 0.613 . . . . 1.21 112.356 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -79.98 -37.54 34.08 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.344 0.52 . . . . 1.86 111.088 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.498 ' HB2' HG23 ' A' ' 4' ' ' VAL . 5.4 m-20 -76.97 -36.35 56.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.527 . . . . 2.12 111.614 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.74 -20.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 0.92 110.73 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 15' ' ' VAL . . . -62.33 -60.81 3.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 1.02 110.879 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -37.14 81.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.973 0.416 . . . . 2.45 111.194 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.34 -31.29 67.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.399 -0.364 . . . . 1.78 111.59 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.47 -12.46 18.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.531 0.205 . . . . 1.11 111.215 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.2 29.01 32.02 Favored Glycine 0 C--O 1.229 -0.174 0 C-N-CA 120.498 -0.858 . . . . 1.17 113.05 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 2.8 m -138.01 -168.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 109.411 -0.588 . . . . 1.08 109.411 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.3 p -94.46 -167.88 1.74 Allowed 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.65 -0.5 . . . . 1.92 109.65 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.471 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.9 p90 -90.56 4.82 50.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.586 -0.446 . . . . 0.97 111.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -91.63 -36.19 13.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.69 -0.404 . . . . 2.23 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -32.74 74.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 109.572 -0.529 . . . . 1.21 109.572 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.08 -50.96 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.626 -0.716 . . . . 1.59 109.708 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.47 -16.19 61.81 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.236 -0.438 . . . . 1.6 112.13 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -38.74 59.66 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.994 -0.548 . . . . 4.27 111.875 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 11.9 m -89.14 -11.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 112.726 0.639 . . . . 1.76 112.726 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.73 -28.07 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 1.87 111.146 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -96.56 -53.67 3.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.684 0.624 . . . . 1.67 112.684 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -134.02 -33.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.577 0.584 . . . . 3.34 112.577 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 69.87 47.19 0.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.45 0.469 . . . . 1.9 111.645 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.82 -134.97 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.891 0.476 . . . . 2.14 111.117 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -77.42 83.83 3.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.173 0.511 . . . . 3.89 110.07 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.8 t -86.43 67.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.846 -0.615 . . . . 1.55 109.987 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 m 67.31 -7.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.643 -0.708 . . . . 1.78 112.667 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 75.12 -27.96 0.19 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.174 0.989 . . . . 1.53 112.601 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -116.29 -3.67 11.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 4.2 111.773 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -125.62 29.95 5.86 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.208 -0.451 . . . . 1.48 110.09 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . 23.0 ttm105 -82.51 -48.79 10.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.357 1.075 . . . . 3.46 109.418 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -22.22 34.13 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.165 -1.379 . . . . 2.64 109.257 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.85 -49.29 75.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.504 -0.771 . . . . 3.54 111.37 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -65.64 -38.58 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 117.747 0.249 . . . . 1.84 111.264 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -60.7 -42.9 98.12 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.826 0.822 . . . . 1.84 110.352 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.21 -44.81 82.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 1.25 110.097 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.9 73.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.09 110.227 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttp -63.9 -49.01 74.37 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.482 -0.781 . . . . 1.44 110.048 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.78 81.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.05 -0.523 . . . . 1.39 110.707 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.21 -48.54 70.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.204 -0.453 . . . . 2.08 111.783 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.18 -0.65 46.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 1.19 110.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t30 61.03 30.35 19.5 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.749 -0.659 . . . . 2.04 109.457 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -65.03 126.44 28.06 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 115.109 -0.95 . . . . 1.77 111.244 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.0 tp -109.54 108.33 59.76 Favored Pre-proline 0 C--N 1.311 -1.073 0 C-N-CA 120.649 -0.42 . . . . 2.03 111.504 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -67.99 50.64 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.308 2.672 . . . . 0.92 113.156 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 54.76 -160.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.15 0.906 . . . . 1.55 113.102 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -145.13 -40.16 0.24 Allowed 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.175 -0.921 . . . . 3.53 110.374 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 7.1 t -125.22 -7.53 7.07 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.344 0.868 . . . . 1.65 113.344 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.57 98.46 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.486 0.55 . . . . 0.97 112.486 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -62.36 -19.75 63.69 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 123.19 0.596 . . . . 1.67 110.898 -178.236 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.78 -64.16 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.592 -0.892 . . . . 2.12 108.592 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.13 -5.51 2.33 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.18 0.437 . . . . 1.44 112.18 175.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.3 129.14 46.26 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.851 -1.156 . . . . 1.86 109.595 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 121.178 -0.534 . . . . 2.76 113.166 -178.964 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 120.536 0.208 . . . . 1.95 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.33 146.1 33.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.629 -0.878 . . . . 1.74 108.629 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.484 ' HG ' ' CE1' ' B' ' 47' ' ' TYR . 0.5 OUTLIER -62.2 -33.47 74.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.7 0.286 . . . . 1.27 110.789 -178.376 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -59.39 -33.47 71.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 115.769 -0.651 . . . . 1.15 110.846 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.32 -45.84 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.383 -0.372 . . . . 1.81 110.253 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.897 -0.592 . . . . 1.6 110.208 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.58 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.692 -0.686 . . . . 1.22 109.861 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -69.9 -38.61 76.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 2.73 112.381 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.88 -40.75 98.47 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.399 -0.593 . . . . 1.71 109.399 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.92 -19.15 60.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.85 -0.614 . . . . 1.21 111.064 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.75 75.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.447 -0.406 . . . . 1.53 113.125 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.18 -173.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.081 0.441 . . . . 1.79 111.284 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -80.98 20.52 0.78 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.028 1.121 . . . . 2.16 114.028 -177.455 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' B' ' 16' ' ' SER . 4.6 t80 70.97 -56.23 0.63 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.104 0.411 . . . . 2.19 111.911 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -50.95 -43.06 60.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.926 0.393 . . . . 3.17 111.538 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -25.58 68.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.02 1.118 . . . . 1.41 114.02 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.6 t -71.0 -66.63 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.555 0.576 . . . . 1.62 112.555 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -21.24 66.11 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.841 0.682 . . . . 1.86 112.841 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.496 ' HD3' ' HA ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -26.86 64.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 118.177 0.444 . . . . 5.24 110.423 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.711 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 55.1 t -63.56 -39.74 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.76 0.314 . . . . 1.77 110.9 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -0.56 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.749 0.785 . . . . 1.97 110.999 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' B' ' 22' ' ' ARG . 20.3 t-20 -103.55 -63.89 1.14 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.544 -0.753 . . . . 3.75 111.445 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -167.4 54.53 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.82 0.343 . . . . 4.82 111.561 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -63.5 134.3 55.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.428 0.632 . . . . 2.56 111.874 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -124.44 -85.33 0.64 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.768 -1.105 . . . . 3.78 110.372 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -95.28 65.98 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.028 -0.533 . . . . 2.69 112.241 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.0 t -108.85 128.59 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.574 -0.899 . . . . 1.52 108.574 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.51 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 71.0 m -63.99 145.83 55.17 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.384 0.612 . . . . 1.85 110.932 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.461 ' HA ' ' HG2' ' B' ' 35' ' ' ARG . . . -57.32 -33.99 68.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.888 -1.051 . . . . 1.48 110.29 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -66.45 -38.33 87.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.673 -0.694 . . . . 3.68 111.142 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -73.27 -44.9 58.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.836 -0.62 . . . . 1.81 111.69 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.617 ' HA ' HG22 ' B' ' 38' ' ' VAL . 13.7 ptm180 -69.44 -28.74 66.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.334 0.588 . . . . 3.48 112.091 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.9 -50.48 70.54 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.652 -0.704 . . . . 1.96 110.623 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -68.4 -48.34 64.92 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.483 -0.78 . . . . 2.82 112.385 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' B' ' 35' ' ' ARG . 9.1 m -61.06 -33.53 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 112.31 0.485 . . . . 1.43 112.31 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.37 -43.49 90.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.558 -0.905 . . . . 2.27 108.558 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -58.89 -39.73 82.3 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.394 -0.821 . . . . 1.26 110.785 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.22 -41.61 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.37 0.508 . . . . 0.8 112.37 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.51 -41.43 96.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.514 -0.312 . . . . 1.52 110.833 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.47 -29.88 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 1.06 111.543 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.583 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 13.3 tp10 -70.06 -46.95 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.952 0.406 . . . . 2.19 111.928 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.08 -8.4 45.95 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.319 -0.552 . . . . 1.28 112.398 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 65.16 86.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 1.84 109.406 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.484 ' CE1' ' HG ' ' B' ' 6' ' ' LEU . 40.9 t80 -90.02 110.96 21.91 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.92 -0.582 . . . . 1.28 111.063 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -114.2 120.12 39.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 N-CA-C 109.685 -0.487 . . . . 1.39 109.685 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.64 103.65 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.231 1.287 . . . . 1.38 111.524 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -79.88 147.14 31.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.848 -0.614 . . . . 2.08 111.71 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -98.16 88.68 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 3.44 110.75 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 99.4 m -158.43 -69.84 0.09 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.66 -1.154 . . . . 1.9 109.509 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.29 7.57 13.56 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.094 -0.706 . . . . 1.21 109.094 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.88 -50.33 6.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.623 -0.673 . . . . 1.74 110.072 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -66.15 -43.09 88.0 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.729 0.776 . . . . 3.28 109.693 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 30.0 tp -65.3 -37.75 88.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.146 -1.388 . . . . 1.67 112.551 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.38 63.46 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.037 0.211 . . . . 2.13 111.196 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 111.446 -0.661 . . . . 2.17 111.446 179.362 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 8' ' ' ASP . 17.9 m . . . . . 0 N--CA 1.43 -1.459 0 CA-C-O 120.647 0.261 . . . . 1.84 111.264 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.595 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 1.2 p -108.4 -170.72 1.72 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.694 -0.685 . . . . 2.09 112.051 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 21' ' ' SER . 0.2 OUTLIER -53.94 -19.87 5.27 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 113.046 0.758 . . . . 1.21 113.046 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -77.26 -32.3 55.53 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 118.187 0.449 . . . . 1.86 111.514 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -86.53 -52.48 5.54 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.615 0.228 . . . . 2.12 111.615 -178.021 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.11 -35.06 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.153 -0.476 . . . . 0.92 111.484 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.38 89.79 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.173 0.434 . . . . 1.02 112.173 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.6 -33.46 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.118 0.485 . . . . 2.45 110.922 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.424 ' CD2' HD11 ' A' ' 45' ' ' LEU . 21.0 t80 -64.99 -33.82 76.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.809 -0.632 . . . . 1.78 110.977 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.57 -25.12 21.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.407 -0.815 . . . . 1.11 110.697 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.61 16.11 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.736 -0.745 . . . . 1.17 113.585 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.56 -171.5 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 120.442 0.163 . . . . 1.08 110.708 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.7 p -86.12 170.46 12.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.763 -0.458 . . . . 1.92 109.763 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -74.72 -12.41 60.41 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.921 -0.312 . . . . 0.97 110.739 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -82.81 -34.52 26.92 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.529 -0.468 . . . . 2.23 109.817 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -48.78 80.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 1.21 111.686 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' VAL . 3.9 p -66.68 -36.06 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.545 0.572 . . . . 1.59 112.545 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.604 ' HB3' HD23 ' A' ' 6' ' ' LEU . 86.8 p -82.14 -14.96 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.647 -0.658 . . . . 1.6 110.792 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 15.2 tpt180 -73.9 -27.38 61.02 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 112.197 0.443 . . . . 4.27 112.197 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 20' ' ' VAL . 27.1 m -65.37 -42.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.569 0.7 . . . . 1.76 110.761 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -79.59 -15.5 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.826 -0.624 . . . . 1.87 112.004 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -85.09 -52.46 5.94 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.031 0.832 . . . . 1.67 110.253 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -160.22 -32.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.792 -0.567 . . . . 3.34 111.208 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 65.54 36.63 6.47 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.658 0.783 . . . . 1.9 111.929 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -42.83 63.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.766 -0.652 . . . . 2.14 111.642 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -141.92 75.94 1.52 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.536 0.207 . . . . 3.89 111.436 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG21 HG12 ' A' ' 23' ' ' VAL . 3.1 t -102.65 35.74 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.729 -0.471 . . . . 1.55 109.729 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 57.1 m 65.19 -23.67 0.09 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.684 0.994 . . . . 1.78 113.684 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.72 -19.63 0.3 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.629 0.772 . . . . 1.53 110.775 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 31' ' ' SER . 32.1 mttt -85.07 -36.17 21.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.677 0.791 . . . . 4.2 112.524 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.49 3.45 21.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.157 0.504 . . . . 1.48 111.079 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -43.84 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.898 0.703 . . . . 3.46 112.898 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -26.36 33.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.55 0.691 . . . . 2.64 111.448 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.586 -0.734 . . . . 3.54 111.189 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' HB ' HG23 ' A' ' 20' ' ' VAL . 35.4 m -71.81 -25.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 117.978 0.354 . . . . 1.84 110.881 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.31 -38.51 60.26 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.441 0.162 . . . . 1.84 110.721 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -65.11 -38.37 90.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.517 -0.311 . . . . 1.25 110.833 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.45 19.04 4.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.179 0.437 . . . . 1.09 112.179 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 38.1 ttm -85.56 -60.3 2.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.302 0.572 . . . . 1.44 110.356 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -18.31 44.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.513 -0.767 . . . . 1.39 110.256 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -74.24 -45.11 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.505 0.669 . . . . 2.08 111.295 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 12' ' ' TYR . 79.9 mt -91.0 -0.09 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.02 -0.536 . . . . 1.19 111.038 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 t30 64.99 83.29 0.17 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.842 0.714 . . . . 2.04 109.388 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 12.9 t80 -123.01 121.67 36.64 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.073 -0.512 . . . . 1.77 110.726 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.454 ' C ' ' H ' ' A' ' 50' ' ' ASN . 32.4 mt -119.51 110.74 36.97 Favored Pre-proline 0 C--O 1.223 -0.298 0 O-C-N 123.711 0.632 . . . . 2.03 109.358 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -63.99 18.09 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 123.883 3.055 . . . . 0.92 114.668 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 48' ' ' ILE . 42.5 m-80 60.09 165.06 0.06 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 122.093 0.949 . . . . 1.55 112.358 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -115.85 -15.33 11.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.594 -1.185 . . . . 3.53 109.441 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -136.8 110.75 8.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.52 -1.673 . . . . 1.65 109.817 179.372 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' B' ' 56' ' ' LEU . . . 174.49 -44.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.004 -0.998 . . . . 0.97 110.664 -175.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -67.29 -29.35 68.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.791 0.682 . . . . 1.67 110.885 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.97 14.11 0.57 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.618 -0.676 . . . . 2.12 111.895 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.536 HD22 HD23 ' B' ' 56' ' ' LEU . 8.9 tp -110.25 -16.59 13.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.964 -0.562 . . . . 1.44 110.16 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -120.55 -11.38 9.09 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 121.8 0.809 . . . . 1.86 111.711 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.612 0 N-CA-C 110.592 -1.003 . . . . 2.76 110.592 -178.475 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.218 -0.66 . . . . 1.95 109.218 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -145.69 160.34 41.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.916 -0.772 . . . . 1.74 108.916 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.97 -22.03 65.94 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.372 0.606 . . . . 1.27 110.934 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.51 -30.72 64.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.267 -0.878 . . . . 1.15 109.729 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.97 -27.14 60.84 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 122.139 0.971 . . . . 1.81 110.372 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.1 t -70.3 -41.36 78.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.552 -1.203 . . . . 1.6 110.482 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.13 65.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.677 0.751 . . . . 1.22 109.887 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -72.81 -44.15 61.83 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.572 -1.195 . . . . 2.73 110.544 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -67.84 -43.93 78.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 1.71 110.275 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.12 -21.33 59.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 113.87 1.063 . . . . 1.21 113.87 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.5 39.73 55.85 Favored Glycine 0 C--O 1.222 -0.605 0 N-CA-C 110.393 -1.083 . . . . 1.53 110.393 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -128.72 -173.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.371 . . . . 1.79 110.385 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -93.21 162.63 13.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 2.16 110.236 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.69 -22.21 61.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.85 -0.614 . . . . 2.19 110.732 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.595 ' HG3' ' N ' ' B' ' 19' ' ' THR . 0.2 OUTLIER -80.51 -30.57 37.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 3.17 110.446 -178.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.595 ' N ' ' HG3' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -70.23 -37.24 74.96 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.111 -0.949 . . . . 1.41 110.743 -177.516 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.42 ' O ' HG23 ' B' ' 24' ' ' VAL . 29.5 m -77.05 -28.0 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.996 0.81 . . . . 1.62 111.494 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -84.43 -48.64 9.44 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.719 0.771 . . . . 1.86 110.688 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' B' ' 26' ' ' GLN . 3.3 tpp180 -55.43 -39.31 70.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.616 -1.175 . . . . 5.24 113.28 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.93 -20.69 23.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.334 0.494 . . . . 1.77 112.334 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 20' ' ' VAL . 54.7 t -67.52 -74.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 120.966 0.413 . . . . 1.97 110.424 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -155.33 67.0 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 3.75 111.287 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.521 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 65.4 mt-30 -139.39 -66.42 0.46 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.311 -0.404 . . . . 4.82 111.449 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.17 161.49 32.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 2.56 112.054 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -115.83 -5.66 12.07 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.667 -0.697 . . . . 3.78 111.126 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.34 41.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 2.69 110.622 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -107.89 136.74 42.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.194 -0.457 . . . . 1.52 110.686 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.29 125.52 16.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 123.788 0.68 . . . . 1.85 112.296 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.76 96.92 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.088 -0.506 . . . . 1.48 111.404 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -58.42 -38.7 77.96 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.34 0.59 . . . . 3.68 111.667 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.1 -21.23 24.8 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.806 0.669 . . . . 1.81 112.806 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.432 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -73.95 -30.77 62.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.639 0.607 . . . . 3.48 112.639 -178.584 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.31 -31.0 72.03 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.644 0.735 . . . . 1.96 111.65 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -74.68 -27.84 60.58 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.276 -0.875 . . . . 2.82 111.56 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.44 -40.67 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 109.909 -0.404 . . . . 1.43 109.909 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 23.6 mt-10 -63.11 -45.31 92.65 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.363 -0.606 . . . . 2.27 109.363 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.81 79.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.999 -1.0 . . . . 1.26 111.311 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.02 96.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.264 -0.273 . . . . 0.8 110.264 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 79.5 mtm -63.91 -36.67 84.69 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.692 -0.685 . . . . 1.52 111.044 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.95 -37.02 24.68 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.318 0.386 . . . . 1.06 111.156 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.09 -45.35 81.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 2.19 110.334 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.38 -6.99 59.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.17 0.509 . . . . 1.28 110.028 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.84 50.19 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.754 -1.112 . . . . 1.84 110.585 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -63.48 120.47 11.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.159 -0.928 . . . . 1.28 111.369 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mt -126.72 127.95 24.37 Favored Pre-proline 0 C--N 1.317 -0.806 0 N-CA-C 107.816 -1.179 . . . . 1.39 107.816 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -43.98 95.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.475 2.117 . . . . 1.38 111.713 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -77.88 156.64 30.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.43 -0.804 . . . . 2.08 111.479 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.683 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 1.1 mpt_? -93.91 171.5 8.82 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.4 -0.593 . . . . 3.44 109.4 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.502 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 69.8 m 62.56 46.14 5.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.047 -0.524 . . . . 1.9 109.799 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 176.95 -25.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 114.682 -1.145 . . . . 1.21 109.731 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -90.3 -42.16 11.13 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 114.89 -1.05 . . . . 1.74 108.776 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.427 HE22 ' HG3' ' B' ' 51' ' ' ARG . 22.4 mp0 -71.94 -47.79 49.88 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 121.903 0.859 . . . . 3.28 110.206 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.536 HD23 HD22 ' A' ' 56' ' ' LEU . 1.1 tp -57.65 -31.85 66.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.477 -1.238 . . . . 1.67 111.705 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.77 -11.48 31.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.163 -0.335 . . . . 2.13 111.869 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.656 0 C-N-CA 120.602 -0.808 . . . . 2.17 111.332 -178.935 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 120.81 0.338 . . . . 1.84 110.953 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.559 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 11.8 p -126.5 -169.53 2.04 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.528 -0.306 . . . . 2.09 110.934 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.449 ' HA ' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -53.91 -16.65 1.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.096 -0.502 . . . . 1.21 111.899 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -80.99 -32.4 34.32 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.892 0.377 . . . . 1.86 111.008 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.5 -44.79 20.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 2.12 110.252 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.457 ' HB ' HG21 ' A' ' 20' ' ' VAL . 4.4 t -64.56 -26.83 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.979 -0.555 . . . . 0.92 111.003 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -60.67 -57.36 13.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.075 0.465 . . . . 1.02 110.65 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -45.54 91.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.47 -0.786 . . . . 2.45 110.251 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -60.34 -22.7 63.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.831 -0.622 . . . . 1.78 111.593 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.11 -10.09 18.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.495 . . . . 1.11 112.267 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.45 30.08 50.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.092 -0.575 . . . . 1.17 112.425 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.02 -174.53 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.975 -0.38 . . . . 1.08 109.975 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 p -86.67 168.58 13.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.137 -0.69 . . . . 1.92 109.137 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.476 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 50.1 p90 -66.06 -18.29 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.185 -0.206 . . . . 0.97 111.218 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 42.8 tp60 -68.96 -29.57 67.83 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.481 0.181 . . . . 2.23 110.938 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -68.08 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.869 0.366 . . . . 1.21 110.092 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' HA ' HG11 ' A' ' 38' ' ' VAL . 39.0 t -67.75 -37.25 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.833 -0.621 . . . . 1.59 110.629 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.5 t -81.26 -20.99 39.74 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.19 0.519 . . . . 1.6 110.742 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 3.6 ttp180 -64.26 -31.58 72.84 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 4.27 112.432 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -87.46 -4.87 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.988 -0.685 . . . . 1.76 112.557 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.4 t -84.22 -53.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.26 0.553 . . . . 1.87 110.991 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -94.68 -65.64 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.535 -0.757 . . . . 1.67 112.24 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -62.69 -59.53 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.367 0.506 . . . . 3.34 112.367 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.03 31.1 21.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.757 -0.656 . . . . 1.9 110.626 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -91.68 -155.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.959 -0.564 . . . . 2.14 111.724 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -66.64 99.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 3.89 112.25 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 32' ' ' ALA . 24.1 t -106.76 69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.476 -0.784 . . . . 1.55 109.786 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m 67.69 -18.96 0.14 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.916 -1.038 . . . . 1.78 112.507 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 70.84 2.16 4.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.036 0.534 . . . . 1.53 110.632 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -119.87 -45.9 2.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.76 0.79 . . . . 4.2 109.653 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.85 0.17 57.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.577 -1.192 . . . . 1.48 111.043 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 35' ' ' ARG . 39.8 ttt-85 -69.35 -55.93 8.96 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.888 -0.596 . . . . 3.46 109.599 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.94 -30.89 69.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.64 110.198 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.76 -51.35 67.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.925 -0.58 . . . . 3.54 110.475 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG11 ' HA ' ' A' ' 20' ' ' VAL . 62.0 t -66.38 -45.05 90.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.692 0.282 . . . . 1.84 111.123 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -55.38 -35.9 65.79 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.431 -0.35 . . . . 1.84 111.447 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.29 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.149 -0.344 . . . . 1.25 111.662 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.39 83.76 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 111.6 0.222 . . . . 1.09 111.6 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.7 ptm -62.58 -34.79 77.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.173 -0.611 . . . . 1.44 111.175 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.37 41.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.992 0.425 . . . . 1.39 110.538 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.1 -38.32 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 2.08 111.416 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -86.56 6.46 30.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.411 -0.359 . . . . 1.19 111.188 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 t30 61.54 25.48 15.4 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.1 0.476 . . . . 2.04 110.712 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 16.7 t80 -65.98 144.08 56.98 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.826 -0.625 . . . . 1.77 111.41 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 2.6 tp -134.9 108.03 10.63 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 115.4 -0.818 . . . . 2.03 109.211 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 23.4 Cg_exo -66.98 30.73 0.12 Allowed 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.885 3.056 . . . . 0.92 114.618 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 57.93 -173.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.796 0.665 . . . . 1.55 112.796 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -137.31 -42.97 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.058 -0.519 . . . . 3.53 111.808 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -96.31 -19.36 19.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.602 -0.272 . . . . 1.65 111.537 -179.05 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -25.98 67.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.308 0.575 . . . . 0.97 110.438 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.85 -17.55 64.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.59 -0.732 . . . . 1.67 110.845 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -79.34 -68.04 0.7 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.122 -0.49 . . . . 2.12 110.467 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.9 tp -58.35 -7.11 0.79 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.121 1.156 . . . . 1.44 114.121 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.07 4.53 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.578 0.584 . . . . 1.86 112.578 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.505 0 C-N-CA 120.516 -0.849 . . . . 2.76 111.529 179.207 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.239 0.527 0 N-CA-C 108.497 -0.927 . . . . 1.95 108.497 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -143.76 171.58 14.01 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.743 0.306 . . . . 1.74 110.483 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.496 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -69.12 -14.81 63.21 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.153 -0.476 . . . . 1.27 111.21 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.18 -23.96 54.73 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.037 -0.727 . . . . 1.15 109.037 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.81 -48.88 62.49 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.591 -0.731 . . . . 1.81 111.101 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.51 -31.48 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 1.6 111.67 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.459 ' HA ' ' HB ' ' B' ' 15' ' ' VAL . . . -70.83 -36.43 72.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.168 0.433 . . . . 1.22 112.168 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -82.68 -38.02 23.98 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.88 0.372 . . . . 2.73 111.134 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.33 -53.48 57.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.491 0.923 . . . . 1.71 113.491 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.04 -8.34 22.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.205 0.817 . . . . 1.21 113.205 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.91 48.33 5.83 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 119.48 -1.343 . . . . 1.53 111.138 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' B' ' 10' ' ' ALA . 40.4 t -93.95 145.69 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.076 0.465 . . . . 1.79 111.015 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.54 15.03 1.4 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.381 -0.827 . . . . 2.16 113.079 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 8.0 t80 58.3 17.39 4.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.316 0.646 . . . . 2.19 111.968 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.0 -32.74 2.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.559 0.695 . . . . 3.17 109.22 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.577 HG22 HG13 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -83.8 -8.67 59.17 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 113.186 0.81 . . . . 1.41 113.186 -178.451 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.414 HG13 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -84.16 -59.21 2.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 O-C-N 122.124 -0.36 . . . . 1.62 110.802 -179.681 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -53.89 -28.23 35.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 1.86 112.029 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -41.53 93.01 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.935 -0.575 . . . . 5.24 110.436 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.401 HG21 HG21 ' B' ' 38' ' ' VAL . 87.8 t -67.94 -28.04 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.494 0.664 . . . . 1.77 109.85 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -79.89 -42.75 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.199 -0.91 . . . . 1.97 111.075 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -95.86 -76.67 0.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.994 0.368 . . . . 3.75 111.994 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -153.22 100.74 2.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.384 0.612 . . . . 4.82 111.388 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.89 146.72 54.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.2 -0.909 . . . . 2.56 110.541 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -142.07 -80.42 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.475 -0.329 . . . . 3.78 110.267 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 57.5 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.282 0.563 . . . . 2.69 111.064 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.577 HG13 HG22 ' B' ' 19' ' ' THR . 11.9 t -103.05 113.99 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.855 -1.066 . . . . 1.52 110.189 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.506 ' HB3' ' OG1' ' B' ' 34' ' ' THR . 24.4 t -60.1 149.09 33.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.518 0.675 . . . . 1.85 110.917 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' CD ' ' B' ' 35' ' ' ARG . . . -62.19 -24.08 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.626 -0.715 . . . . 1.48 111.559 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.62 -22.9 32.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.188 0.518 . . . . 3.68 110.323 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' B' ' 31' ' ' SER . 0.2 OUTLIER -90.86 -32.13 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 1.81 112.004 -178.515 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 17.2 ptp180 -66.79 -14.54 62.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 3.48 112.088 -177.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.71 -40.64 12.4 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.698 0.285 . . . . 1.96 110.876 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -63.85 -41.07 97.88 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.886 0.374 . . . . 2.82 110.675 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.401 HG21 HG21 ' B' ' 23' ' ' VAL . 18.4 m -64.73 -33.81 65.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.377 -0.829 . . . . 1.43 110.496 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 4.3 mt-10 -73.5 -44.22 58.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.839 -0.43 . . . . 2.27 109.839 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.57 74.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 1.26 110.95 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.88 88.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.246 0.546 . . . . 0.8 110.823 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.1 mtm -73.73 -36.16 65.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.823 -0.626 . . . . 1.52 111.367 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.89 -41.89 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 1.06 111.572 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.56 -48.36 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 2.19 110.984 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.19 -1.67 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 1.28 111.928 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 62.9 t30 52.35 58.36 5.49 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.367 0.603 . . . . 1.84 111.598 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -64.31 119.21 9.88 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.118 -0.633 . . . . 1.28 110.814 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.4 mm -105.51 123.22 40.16 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.595 -0.729 . . . . 1.39 109.041 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.68 99.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.758 2.305 . . . . 1.38 112.983 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.46 103.34 13.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 2.08 111.492 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.506 ' HG3' ' OE1' ' B' ' 54' ' ' GLN . 2.5 mpp_? -85.99 100.0 11.83 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.443 1.116 . . . . 3.44 110.379 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 35.7 t -176.3 -69.34 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 113.458 -1.701 . . . . 1.9 107.429 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.93 13.09 1.13 Allowed 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 121.227 0.537 . . . . 1.21 110.886 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.506 ' OE1' ' HG3' ' B' ' 51' ' ' ARG . 3.5 mt-30 -88.83 -46.38 9.0 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 108.48 -0.933 . . . . 1.74 108.48 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' B' ' 56' ' ' LEU . 4.8 pt20 -85.88 -34.25 21.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.934 -1.136 . . . . 3.28 107.934 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 40.5 tp -83.19 53.48 2.48 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.83 -1.077 . . . . 1.67 109.137 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.81 0.69 1.11 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.891 -0.595 . . . . 2.13 111.839 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.784 0 C-N-CA 118.924 -1.608 . . . . 2.17 113.827 -179.243 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 8' ' ' ASP . 2.5 p . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 120.973 0.416 . . . . 1.84 111.531 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.524 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 2.2 p -111.03 -171.34 1.81 Allowed 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.078 -0.51 . . . . 2.09 109.658 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.671 HD13 ' HB2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -58.66 -22.78 57.77 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.722 0.296 . . . . 1.21 111.753 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -71.1 -28.39 64.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 1.86 110.726 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.479 ' HB3' HG23 ' A' ' 4' ' ' VAL . 30.4 t0 -87.94 -46.23 9.56 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.317 -0.401 . . . . 2.12 110.094 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' THR . 37.1 t -59.92 -26.96 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.825 -0.625 . . . . 0.92 110.071 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.83 75.93 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.936 -0.575 . . . . 1.02 110.49 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.68 -51.74 66.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.859 0.361 . . . . 2.45 110.429 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -56.05 -31.44 63.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.566 -0.743 . . . . 1.78 110.637 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.4 -18.74 29.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.897 -0.592 . . . . 1.11 112.1 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.63 21.54 61.7 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 120.603 -0.808 . . . . 1.17 112.479 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.75 -171.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 117.344 0.572 . . . . 1.08 110.085 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -89.66 169.74 11.06 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.295 0.569 . . . . 1.92 110.513 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.671 ' HB2' HD13 ' A' ' 6' ' ' LEU . 4.5 p90 -66.42 -18.28 65.27 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.911 -0.586 . . . . 0.97 112.571 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -67.99 -34.96 77.51 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.902 -0.407 . . . . 2.23 109.902 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.54 83.93 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.086 -0.506 . . . . 1.21 110.231 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HA ' HG11 ' A' ' 38' ' ' VAL . 13.0 t -67.58 -43.67 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.768 0.318 . . . . 1.59 110.157 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 m -60.9 -31.65 71.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.589 0.709 . . . . 1.6 111.005 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -72.13 -34.23 68.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.432 0.901 . . . . 4.27 113.432 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.485 HG11 ' HB ' ' A' ' 38' ' ' VAL . 33.2 m -78.51 -12.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 118.345 0.521 . . . . 1.76 111.217 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.57 -50.0 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.586 0.708 . . . . 1.87 109.538 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -90.91 -64.4 1.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.147 -0.933 . . . . 1.67 111.87 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.95 -73.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.185 0.439 . . . . 3.34 112.185 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 57.1 27.28 13.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.068 -0.514 . . . . 1.9 111.873 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.16 -82.64 0.62 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.182 0.515 . . . . 2.14 111.542 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -85.44 90.4 7.94 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.723 -0.671 . . . . 3.89 111.479 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.0 t -134.17 79.82 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.672 0.272 . . . . 1.55 110.484 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 t 60.07 -2.64 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.525 -0.762 . . . . 1.78 112.415 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 59.03 23.0 11.11 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.552 0.692 . . . . 1.53 110.613 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.84 -57.11 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.97 -1.013 . . . . 4.2 110.421 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.74 31.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 1.48 112.068 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.513 HH21 ' HG2' ' A' ' 36' ' ' GLU . 13.3 ttp85 -82.67 -45.76 14.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.887 0.851 . . . . 3.46 109.164 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG2' HH21 ' A' ' 35' ' ' ARG . 84.7 mt-10 -80.94 -19.6 43.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.801 -1.091 . . . . 2.64 111.581 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.01 -65.42 0.62 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.812 0.339 . . . . 3.54 110.166 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' HB ' HG11 ' A' ' 23' ' ' VAL . 2.1 t -62.4 -36.63 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.954 -0.566 . . . . 1.84 111.456 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.95 -32.24 71.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.063 -0.255 . . . . 1.84 111.336 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.07 -26.77 25.13 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 109.463 -0.569 . . . . 1.25 109.463 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.06 67.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.033 -0.53 . . . . 1.09 110.496 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.0 ptm -60.81 -34.74 74.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.109 -0.496 . . . . 1.44 109.786 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.92 -36.53 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.675 -0.693 . . . . 1.39 110.889 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -44.19 89.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.215 -0.902 . . . . 2.08 111.826 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -95.68 4.06 53.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.863 -0.608 . . . . 1.19 112.004 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.6 t30 57.34 48.21 15.29 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.265 1.031 . . . . 2.04 110.387 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 13.2 t80 -72.0 125.3 26.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.504 -1.225 . . . . 1.77 111.692 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.463 HG13 ' H ' ' A' ' 50' ' ' ASN . 5.4 tp -110.35 105.04 56.85 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.008 -0.996 . . . . 2.03 109.455 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -67.38 15.25 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.043 3.162 . . . . 0.92 114.527 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.463 ' H ' HG13 ' A' ' 48' ' ' ILE . 60.9 m-80 59.92 -171.97 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.981 0.42 . . . . 1.55 111.44 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 11.0 ptt85 -135.31 -34.77 0.85 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.652 -0.419 . . . . 3.53 110.712 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 84.6 m -89.43 -22.33 22.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.394 0.516 . . . . 1.65 112.394 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.12 89.55 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.261 0.35 . . . . 0.97 110.863 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.91 -35.25 80.12 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.033 -0.531 . . . . 1.67 111.19 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -71.96 -69.55 0.38 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.211 0.448 . . . . 2.12 112.211 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 tp -53.43 -17.37 1.91 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.998 1.481 . . . . 1.44 114.998 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.67 -57.93 7.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.091 -0.643 . . . . 1.86 110.659 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.054 0 C-N-CA 119.62 -1.276 . . . . 2.76 112.588 178.296 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.158 -0.312 . . . . 1.95 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -130.47 167.94 17.82 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.489 0.493 . . . . 1.74 110.369 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -78.76 -20.4 50.01 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.788 -0.449 . . . . 1.27 109.788 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -81.83 -27.91 33.36 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.41 -0.814 . . . . 1.15 110.302 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -49.67 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.06 0.457 . . . . 1.81 111.058 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.97 -12.65 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.603 -0.726 . . . . 1.6 111.673 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.99 -51.18 6.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.016 0.436 . . . . 1.22 110.985 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.4 -40.35 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.29 -0.868 . . . . 2.73 110.276 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -61.6 -41.0 96.82 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 1.71 110.9 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -85.5 -10.03 56.62 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.21 111.811 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.34 32.2 83.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.258 -0.973 . . . . 1.53 111.362 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 m -97.74 176.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.576 -0.312 . . . . 1.79 110.996 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -91.01 11.55 22.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.647 -0.706 . . . . 2.16 112.146 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' B' ' 16' ' ' SER . 34.6 t80 73.54 -60.59 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.589 0.355 . . . . 2.19 111.627 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -58.91 -29.28 66.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.754 0.312 . . . . 3.17 111.323 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.452 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.2 OUTLIER -62.85 -36.92 84.85 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.154 -0.475 . . . . 1.41 110.617 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.35 -45.97 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 115.895 -0.593 . . . . 1.62 110.336 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -35.44 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.113 -0.494 . . . . 1.86 112.132 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' B' ' 26' ' ' GLN . 10.4 mmm180 -79.63 -31.23 41.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 122.104 -0.372 . . . . 5.24 110.587 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 19' ' ' THR . 64.2 t -64.35 -39.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.492 -0.483 . . . . 1.77 111.054 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 m -87.26 -20.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.946 0.35 . . . . 1.97 111.946 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -110.27 -73.41 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.362 0.505 . . . . 3.75 112.362 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLN . . . . . 0.483 ' HB3' ' NH2' ' B' ' 22' ' ' ARG . 18.5 tm0? -150.45 104.12 3.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.266 0.555 . . . . 4.82 110.864 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' B' ' 22' ' ' ARG . . . -94.05 125.25 38.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.566 -0.743 . . . . 2.56 111.175 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -108.82 -78.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.264 -0.426 . . . . 3.78 111.143 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -102.49 48.81 0.86 Allowed 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 110.044 -0.354 . . . . 2.69 110.044 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -99.19 122.06 50.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.74 -0.664 . . . . 1.52 110.714 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -73.02 141.55 47.68 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.229 0.538 . . . . 1.85 110.452 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.35 -17.09 62.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.328 -0.396 . . . . 1.48 111.842 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -67.15 -34.47 77.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.868 0.366 . . . . 3.68 111.424 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -22.65 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.532 . . . . 1.81 110.524 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.664 ' O ' HG22 ' B' ' 38' ' ' VAL . 25.8 ttt180 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.197 -0.91 . . . . 3.48 111.895 -178.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -34.63 78.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 122.007 0.908 . . . . 1.96 111.068 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -61.84 -34.86 76.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.18 -0.918 . . . . 2.82 112.361 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.664 HG22 ' O ' ' B' ' 35' ' ' ARG . 3.0 m -75.61 -22.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.246 -0.434 . . . . 1.43 111.3 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.25 -53.82 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.793 -0.447 . . . . 2.27 109.793 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.88 -40.31 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.176 -0.92 . . . . 1.26 111.155 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.062 -0.517 . . . . 0.8 112.082 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 19.2 ptp -61.85 -33.34 74.0 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.483 0.49 . . . . 1.52 111.183 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.79 42.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.56 0.578 . . . . 1.06 112.56 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.86 -43.29 46.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.239 0.543 . . . . 2.19 111.856 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -90.89 -6.34 54.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.187 -0.46 . . . . 1.28 111.841 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 t30 60.69 77.6 0.32 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 124.136 0.898 . . . . 1.84 110.898 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -74.47 122.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.28 111.302 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.6 125.1 24.38 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.674 -1.232 . . . . 1.39 107.674 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.51 103.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.72 2.28 . . . . 1.38 111.815 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.39 96.17 2.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.075 -0.966 . . . . 2.08 110.533 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.532 ' HD3' ' OE1' ' B' ' 54' ' ' GLN . 30.8 mmt-85 -79.78 86.88 5.3 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.813 0.816 . . . . 3.44 110.0 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.48 -64.4 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 113.528 -1.669 . . . . 1.9 108.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.03 7.38 21.61 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.962 -0.563 . . . . 1.21 110.395 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.532 ' OE1' ' HD3' ' B' ' 51' ' ' ARG . 96.8 mt-30 -90.55 -44.06 9.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.206 -0.452 . . . . 1.74 110.152 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -71.57 -32.8 68.49 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.613 1.197 . . . . 3.28 108.187 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 19.1 tp -86.39 49.54 1.82 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.558 -1.655 . . . . 1.67 110.092 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.84 -13.04 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 2.13 112.142 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 121.321 -0.466 . . . . 2.17 112.917 179.133 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 121.524 0.678 . . . . 1.84 109.406 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.474 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 46.9 p -121.01 -169.16 1.79 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.373 0.606 . . . . 2.09 112.109 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' N ' HD12 ' A' ' 6' ' ' LEU . 0.1 OUTLIER -52.03 -25.53 8.72 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.871 -1.059 . . . . 1.21 111.54 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -76.65 -38.05 55.26 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.537 -0.301 . . . . 1.86 110.717 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.66 -52.79 18.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.578 0.227 . . . . 2.12 110.54 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.48 -33.81 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.098 -0.501 . . . . 0.92 111.123 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.66 -57.59 10.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.511 -0.768 . . . . 1.02 111.354 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.54 -40.07 86.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.431 -0.804 . . . . 2.45 110.819 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -60.07 -42.76 95.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.051 -0.522 . . . . 1.78 111.518 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.67 -23.43 36.89 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.407 -0.36 . . . . 1.11 111.915 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.22 27.19 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.864 -0.684 . . . . 1.17 112.514 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.41 ' HB ' ' OG1' ' A' ' 19' ' ' THR . 3.5 m -137.12 -173.0 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 C-N-CA 122.733 0.413 . . . . 1.08 109.935 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.1 p -96.15 177.16 5.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.393 . . . . 1.92 110.033 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -67.59 -18.9 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.374 -0.376 . . . . 0.97 111.194 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 29.5 tp60 -69.73 -41.69 74.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 2.23 111.106 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.41 ' OG1' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -66.21 -41.41 90.16 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.315 -0.402 . . . . 1.21 110.513 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.39 -33.41 61.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.484 0.659 . . . . 1.59 110.919 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -82.75 -30.03 29.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.768 -0.651 . . . . 1.6 112.154 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -57.67 -24.67 57.88 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.017 0.747 . . . . 4.27 113.017 -177.21 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.02 -46.41 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.936 -0.477 . . . . 1.76 111.793 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.67 -21.49 13.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 111.846 0.313 . . . . 1.87 111.846 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -77.19 -59.07 2.93 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.24 -0.436 . . . . 1.67 112.051 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -136.66 -29.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.183 0.438 . . . . 3.34 112.183 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.58 65.39 0.47 Allowed 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.927 0.491 . . . . 1.9 111.376 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 m -104.78 -142.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.14 109.529 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.55 74.56 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.89 0.852 . . . . 3.89 111.889 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' ' 22' ' ' ARG . 12.2 t -88.3 77.49 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 115.066 -0.97 . . . . 1.55 109.661 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 31.4 t 67.1 -40.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.278 0.986 . . . . 1.78 113.192 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 69.89 9.83 7.26 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 108.101 -1.074 . . . . 1.53 108.101 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.86 -38.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 113.969 -1.469 . . . . 4.2 110.486 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -104.2 3.64 33.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.334 -0.546 . . . . 1.48 111.081 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -60.12 -57.11 14.25 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.238 -0.437 . . . . 3.46 110.119 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.462 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -64.79 -37.14 86.6 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.918 -0.583 . . . . 2.64 109.768 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -54.17 -43.65 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 3.54 111.039 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.85 -43.74 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.719 0.637 . . . . 1.84 110.348 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 42.2 mt-10 -60.35 -54.38 46.39 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.472 -0.785 . . . . 1.84 110.674 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.63 78.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.479 -0.782 . . . . 1.25 111.15 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.33 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.575 -0.739 . . . . 1.09 111.557 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.5 ttm -59.19 -39.13 81.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.719 . . . . 1.44 111.384 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.81 23.79 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.14 -0.482 . . . . 1.39 110.983 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -59.99 -55.0 39.43 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.918 0.71 . . . . 2.08 112.918 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.2 mt -80.3 -12.94 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.27 0.47 . . . . 1.19 112.27 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 72.91 105.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.358 0.599 . . . . 2.04 109.599 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 10.8 t80 -141.83 131.59 24.21 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.776 -0.647 . . . . 1.77 110.0 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 50' ' ' ASN . 4.6 tt -118.42 106.63 44.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.524 . . . . 2.03 110.896 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -66.12 19.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.037 2.491 . . . . 0.92 113.786 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 48' ' ' ILE . 22.4 m-80 59.84 -174.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.369 0.604 . . . . 1.55 111.235 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ptm85 -123.97 -33.21 3.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.252 0.549 . . . . 3.53 111.558 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -120.93 -0.04 10.16 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.171 -0.468 . . . . 1.65 112.261 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.07 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.09 0.472 . . . . 0.97 110.495 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -86.64 6.89 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.742 -0.663 . . . . 1.67 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -118.88 32.66 6.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.207 -0.452 . . . . 2.12 112.015 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD22 HD23 ' B' ' 56' ' ' LEU . 16.1 tp -115.36 -30.06 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.529 0.681 . . . . 1.44 111.3 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.53 23.34 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.046 -0.409 . . . . 1.86 111.522 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.814 0 N-CA-C 111.403 -0.679 . . . . 2.76 111.403 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.557 1.25 0 CA-C-O 118.364 -0.827 . . . . 1.95 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.54 161.74 41.49 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 124.754 1.284 . . . . 1.74 108.62 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -24.33 60.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.237 0.541 . . . . 1.27 111.205 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -63.5 -27.89 69.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 1.15 110.874 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.402 ' HB3' HD13 ' B' ' 45' ' ' LEU . 43.5 m-20 -62.53 -59.17 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 1.81 110.587 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.58 -33.61 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.846 -0.616 . . . . 1.6 111.473 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.35 71.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.166 -0.47 . . . . 1.22 111.324 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.71 -35.15 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.757 0.28 . . . . 2.73 111.757 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -65.29 -44.36 88.21 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.29 0.567 . . . . 1.71 111.249 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -84.61 -18.54 35.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.065 -0.516 . . . . 1.21 112.349 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.41 35.11 75.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 119.902 -1.142 . . . . 1.53 111.009 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 5.3 m -92.2 163.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 1.79 111.193 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -89.83 33.75 0.85 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.258 -0.428 . . . . 2.16 111.55 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 67.46 -47.12 0.49 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.557 0.743 . . . . 2.19 112.751 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.429 HE21 ' HB3' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -65.41 -24.78 67.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.26 0.624 . . . . 3.17 111.844 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.56 76.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.871 0.693 . . . . 1.41 112.871 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -35.61 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.817 0.673 . . . . 1.62 112.817 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 2.9 p -63.21 -34.17 77.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.759 0.314 . . . . 1.86 111.683 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.41 ' HD3' ' OE1' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -75.75 -37.17 59.56 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 112.535 0.568 . . . . 5.24 112.535 -179.021 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.936 HG21 HG21 ' B' ' 38' ' ' VAL . 60.0 t -65.96 -34.45 70.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.353 0.597 . . . . 1.77 110.602 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 t -81.22 -29.63 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.056 -0.52 . . . . 1.97 110.375 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.83 -81.77 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.639 0.237 . . . . 3.75 111.639 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -154.1 88.84 1.26 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.219 0.533 . . . . 4.82 111.146 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 110.79 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 2.56 110.622 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -111.83 -45.61 3.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.206 -0.452 . . . . 3.78 112.004 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.0 62.41 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.551 -0.46 . . . . 2.69 111.819 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t -116.17 116.27 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.19 -1.041 . . . . 1.52 108.19 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' B' ' 35' ' ' ARG . 24.8 p -61.11 144.31 53.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.499 0.19 . . . . 1.85 111.04 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.8 -33.21 34.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 1.48 111.414 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.0 -55.04 40.09 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.167 -0.469 . . . . 3.68 111.499 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.09 -14.68 55.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.3 0.571 . . . . 1.81 110.996 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.46 ' O ' HG22 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -67.48 -23.83 65.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.556 -0.747 . . . . 3.48 111.733 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' B' ' 37' ' ' LYS . 7.2 pt-20 -88.42 -31.83 18.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.137 0.494 . . . . 1.96 110.29 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 8.2 mmmt -61.25 -27.69 68.63 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.613 -0.721 . . . . 2.82 112.061 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.936 HG21 HG21 ' B' ' 23' ' ' VAL . 29.5 m -73.12 -32.29 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.86 0.362 . . . . 1.43 111.623 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.37 -46.28 87.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.34 -0.391 . . . . 2.27 110.883 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.19 -40.5 77.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.119 0.485 . . . . 1.26 110.764 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -69.15 -56.48 7.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.931 -0.577 . . . . 0.8 112.508 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.41 ' HB2' ' HE3' ' B' ' 42' ' ' MET . 55.9 mtm -61.76 -29.76 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.82 0.674 . . . . 1.52 112.82 -177.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.04 -38.62 16.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.516 0.561 . . . . 1.06 112.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.32 -48.6 69.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.899 0.38 . . . . 2.19 111.883 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' B' ' 8' ' ' ASP . 96.7 mt -95.74 -2.84 47.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.426 -0.352 . . . . 1.28 111.709 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 55.26 67.62 0.99 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.144 -0.48 . . . . 1.84 111.77 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -65.23 120.56 12.96 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.254 0.549 . . . . 1.28 111.369 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mt -117.32 121.9 31.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 108.625 -0.88 . . . . 1.39 108.625 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.01 96.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.812 2.341 . . . . 1.38 111.868 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -81.51 118.32 22.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.522 -0.763 . . . . 2.08 111.406 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ARG . . . . . 0.414 ' HE ' ' HB3' ' B' ' 51' ' ' ARG . 55.3 mtp180 -81.05 104.25 11.41 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 122.008 0.909 . . . . 3.44 110.457 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -167.11 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.084 -1.416 . . . . 1.9 108.032 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.52 5.27 28.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 1.21 110.5 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -88.05 -46.58 9.2 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.951 0.881 . . . . 1.74 109.055 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.04 -39.68 72.15 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.591 -1.186 . . . . 3.28 109.513 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.451 HD23 HD22 ' A' ' 56' ' ' LEU . 13.6 tp -63.32 -27.28 69.21 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.004 -0.998 . . . . 1.67 110.875 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.65 58.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.047 0.388 . . . . 2.13 112.047 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.669 0 C-N-CA 120.867 -0.682 . . . . 2.17 112.662 178.194 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.428 -1.533 0 N-CA-C 109.632 -0.507 . . . . 1.84 109.632 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.552 ' HA ' ' CD1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -152.09 -168.41 3.06 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 124.245 0.966 . . . . 2.09 110.389 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.688 HD12 ' HD1' ' A' ' 7' ' ' TYR . 2.0 pp -55.3 -8.1 0.29 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.899 1.074 . . . . 1.21 113.899 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.688 ' HD1' HD12 ' A' ' 6' ' ' LEU . 2.5 m-30 -81.64 -46.96 13.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.465 -0.569 . . . . 1.86 109.465 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.6 -50.25 7.85 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.287 -0.869 . . . . 2.12 111.978 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.76 -34.36 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.901 -0.59 . . . . 0.92 111.201 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.75 -56.85 16.67 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.158 -0.474 . . . . 1.02 110.856 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.76 -39.43 80.96 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 110.238 -0.282 . . . . 2.45 110.238 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.642 ' CD2' HD11 ' A' ' 45' ' ' LEU . 88.4 t80 -57.65 -54.96 41.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.11 -0.495 . . . . 1.78 110.387 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.1 -18.68 62.52 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.98 0.363 . . . . 1.11 111.98 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.95 22.72 24.78 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 119.661 -1.257 . . . . 1.17 112.435 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 m -132.07 -168.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.84 0.353 . . . . 1.08 110.777 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -109.97 -179.9 3.92 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.464 -0.569 . . . . 1.92 109.464 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CB ' HD13 ' A' ' 6' ' ' LEU . 19.9 p90 -79.16 -6.78 57.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.657 0.614 . . . . 0.97 112.657 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -75.98 -34.67 59.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.392 0.615 . . . . 2.23 109.477 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -68.63 -42.8 77.52 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.605 -0.725 . . . . 1.21 109.822 179.327 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.79 -41.83 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.983 -0.553 . . . . 1.59 109.892 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 t -55.76 -31.27 62.43 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.955 -0.566 . . . . 1.6 110.6 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -80.97 -32.52 34.38 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.654 -0.419 . . . . 4.27 111.02 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.494 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 53.2 t -69.49 -35.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 1.76 111.16 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 m -80.41 -20.3 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 CA-C-O 121.282 0.563 . . . . 1.87 111.448 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -92.93 -56.12 3.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.349 -0.842 . . . . 1.67 112.479 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.497 0.554 . . . . 3.34 112.497 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . 62.56 27.94 16.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.516 0.674 . . . . 1.9 110.844 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 p -88.13 -79.34 0.3 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.768 -0.651 . . . . 2.14 111.479 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.45 88.19 6.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.934 0.397 . . . . 3.89 111.116 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' A' ' 32' ' ' ALA . 57.0 t -124.03 83.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.959 -0.564 . . . . 1.55 110.223 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.7 m 64.58 -21.81 0.07 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.759 1.022 . . . . 1.78 113.759 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 74.07 -5.5 2.04 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.993 0.917 . . . . 1.53 110.49 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -128.31 -35.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 4.2 111.182 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 27.55 7.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.238 0.542 . . . . 1.48 111.774 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.48 -48.32 14.12 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.704 -0.68 . . . . 3.46 111.201 -177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -19.79 39.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.441 -0.345 . . . . 2.64 110.261 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -46.44 89.1 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.407 0.521 . . . . 3.54 112.407 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 t -57.23 -37.29 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.926 0.393 . . . . 1.84 110.979 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -57.57 -42.38 82.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.985 0.422 . . . . 1.84 111.26 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.12 -32.91 56.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.299 -0.864 . . . . 1.25 111.269 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.65 87.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.237 -0.438 . . . . 1.09 111.099 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.9 mtm -61.01 -41.42 96.5 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.229 0.538 . . . . 1.44 110.727 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.21 -29.34 62.74 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.858 -0.61 . . . . 1.39 111.644 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -43.96 61.95 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.955 0.724 . . . . 2.08 112.955 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.642 HD11 ' CD2' ' A' ' 12' ' ' TYR . 16.4 mt -87.47 -15.83 36.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.999 0.428 . . . . 1.19 110.98 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 73.74 93.81 0.08 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.065 -1.087 . . . . 2.04 108.065 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 4.5 t80 -137.92 139.13 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.844 -1.071 . . . . 1.77 110.802 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 50' ' ' ASN . 36.8 mm -125.16 114.67 26.06 Favored Pre-proline 0 N--CA 1.445 -0.687 0 CA-C-N 115.852 -0.613 . . . . 2.03 109.922 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -64.07 26.03 0.07 OUTLIER 'Trans proline' 0 N--CA 1.483 0.858 0 C-N-CA 123.787 2.992 . . . . 0.92 114.424 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 48' ' ' ILE . 9.3 m-20 57.89 169.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.689 0.996 . . . . 1.55 113.689 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -113.72 -22.17 10.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.652 1.215 . . . . 3.53 108.051 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -128.96 117.51 21.07 Favored 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.566 -1.652 . . . . 1.65 107.136 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 178.68 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.693 -0.685 . . . . 0.97 111.661 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.16 -14.65 61.11 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.228 -0.896 . . . . 1.67 111.788 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' SG ' ' B' ' 52' ' ' CYS . 19.6 mp0 -91.9 17.7 8.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.124 0.488 . . . . 2.12 110.826 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.28 11.06 4.94 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.091 0.472 . . . . 1.44 110.973 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.45 141.48 28.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.467 -0.333 . . . . 1.86 110.454 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.58 0 C-N-CA 120.558 -0.829 . . . . 2.76 112.236 179.424 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.439 -1.017 0 CA-C-O 121.016 0.436 . . . . 1.95 110.589 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.3 p -65.71 162.29 18.89 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.517 -0.765 . . . . 1.74 111.769 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.61 -14.2 62.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 1.27 111.573 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -71.65 -37.36 70.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.017 -1.105 . . . . 1.15 108.017 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.92 -50.64 72.61 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.12 -0.945 . . . . 1.81 109.171 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t -60.95 -50.7 79.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 114.423 -1.262 . . . . 1.6 111.33 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.419 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -55.35 -48.43 74.24 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 123.069 0.231 . . . . 1.22 111.016 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.61 -41.63 92.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.579 0.704 . . . . 2.73 110.917 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -67.38 -32.94 74.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.508 -0.769 . . . . 1.71 112.562 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.85 -17.96 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.559 -0.291 . . . . 1.21 111.547 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.88 34.85 46.85 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 120.758 -0.734 . . . . 1.53 112.346 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.91 -168.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.516 0.158 . . . . 1.79 110.893 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.2 p -92.95 169.22 10.6 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.699 0.761 . . . . 2.16 112.546 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -71.08 -16.64 62.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.285 -1.325 . . . . 2.19 110.994 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -87.38 -54.78 4.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.23 0.538 . . . . 3.17 110.402 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -28.12 56.75 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.305 0.854 . . . . 1.41 113.305 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.442 ' O ' HG23 ' B' ' 24' ' ' VAL . 10.7 m -78.34 -32.48 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 N-CA-C 112.487 0.551 . . . . 1.62 112.487 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -81.21 -36.27 30.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.335 0.588 . . . . 1.86 111.679 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 27.2 mmm180 -72.41 -35.75 68.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.503 0.557 . . . . 5.24 112.503 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.62 -17.89 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.606 0.566 . . . . 1.77 112.428 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 20' ' ' VAL . 92.5 t -57.39 -63.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.274 -0.269 . . . . 1.97 110.274 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -173.49 35.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.704 -0.48 . . . . 3.75 109.704 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -119.35 -27.63 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.798 -0.361 . . . . 4.82 111.578 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . . . -146.74 145.41 29.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 2.56 111.276 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.53 -4.81 22.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.055 0.455 . . . . 3.78 110.029 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.98 40.48 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 2.69 112.523 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.8 t -120.37 138.0 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 1.52 110.266 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -62.55 146.94 50.52 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.147 -0.478 . . . . 1.85 110.043 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.68 88.45 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.065 -0.516 . . . . 1.48 111.545 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.08 -26.56 66.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.809 -0.632 . . . . 3.68 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.3 m -87.31 -34.14 18.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.356 0.598 . . . . 1.81 110.476 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.85 -28.15 64.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.678 -0.692 . . . . 3.48 111.852 -177.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.83 -35.19 72.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.139 0.495 . . . . 1.96 110.912 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -70.78 -44.78 65.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.566 -0.743 . . . . 2.82 110.997 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.95 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.11 -0.495 . . . . 1.43 111.308 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 7.5 mt-10 -66.08 -39.42 90.01 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.646 -0.501 . . . . 2.27 109.646 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.65 -37.18 80.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.944 0.402 . . . . 1.26 110.318 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.99 66.13 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.846 0.355 . . . . 0.8 111.658 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' MET . . . . . 0.528 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 12.9 ptp -65.82 -30.54 71.18 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.636 -0.425 . . . . 1.52 111.133 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.89 34.87 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.234 0.54 . . . . 1.06 111.911 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -73.92 -41.28 62.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.553 -0.749 . . . . 2.19 110.771 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.34 -1.03 57.32 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.833 -0.621 . . . . 1.28 112.519 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 66.4 t30 57.07 61.88 2.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 1.84 111.779 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.528 ' HB3' ' HB2' ' B' ' 42' ' ' MET . 26.0 t80 -69.94 106.89 3.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 120.987 0.422 . . . . 1.28 110.588 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 68.8 mt -109.14 131.96 21.5 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 107.641 -1.244 . . . . 1.39 107.641 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.34 101.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.771 2.314 . . . . 1.38 111.97 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -71.7 119.89 16.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.782 -1.099 . . . . 2.08 111.675 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -84.74 -179.13 7.04 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.133 -1.062 . . . . 3.44 108.133 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 61.8 m 60.38 46.48 9.89 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.403 0.62 . . . . 1.9 109.562 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 171.25 -25.19 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.862 -1.517 . . . . 1.21 109.465 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -90.05 -35.51 15.44 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 125.034 1.459 . . . . 1.74 109.215 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -85.47 -16.41 39.71 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.734 -0.839 . . . . 3.28 108.734 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tp -90.67 -35.31 15.02 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.584 -1.189 . . . . 1.67 110.334 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.66 -27.03 61.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.025 -0.534 . . . . 2.13 110.538 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.218 0 CA-C-N 115.475 -0.784 . . . . 2.17 111.551 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.422 -1.874 0 N-CA-C 108.888 -0.782 . . . . 1.84 108.888 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.527 ' OG1' HD22 ' A' ' 6' ' ' LEU . 2.5 t -108.05 162.14 14.32 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.94 -0.573 . . . . 2.09 110.704 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -54.95 -12.99 0.94 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.735 0.643 . . . . 1.21 112.735 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -67.34 -31.96 72.58 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.511 0.672 . . . . 1.86 110.034 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.48 -51.16 12.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.598 0.713 . . . . 2.12 110.823 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.56 -36.68 74.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 0.92 110.984 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.44 -44.09 89.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 1.02 111.351 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -41.76 97.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.058 0.456 . . . . 2.45 110.372 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.24 -32.7 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.268 -0.878 . . . . 1.78 110.784 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.13 -18.11 47.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.829 0.347 . . . . 1.11 111.927 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.74 22.58 52.88 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.104 -0.57 . . . . 1.17 113.295 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.24 -173.21 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 117.129 0.465 . . . . 1.08 110.845 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -85.61 160.17 19.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 1.92 110.971 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 32.6 p90 -62.17 -18.57 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.555 0.576 . . . . 0.97 112.555 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 41.5 tp60 -70.57 -22.97 62.52 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.534 -0.543 . . . . 2.23 109.534 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.622 ' HA ' ' NH1' ' A' ' 22' ' ' ARG . 88.2 m -77.88 -32.78 52.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.939 0.4 . . . . 1.21 110.017 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 t -77.55 -35.87 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.753 -0.832 . . . . 1.59 108.753 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -75.26 -16.38 60.45 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.854 0.835 . . . . 1.6 109.332 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.622 ' NH1' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -74.04 -42.56 60.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 4.27 112.623 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 25.4 m -73.23 -17.7 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.176 0.806 . . . . 1.76 113.176 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.69 -36.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.161 0.505 . . . . 1.87 111.461 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -95.32 -32.87 12.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.335 0.865 . . . . 1.67 113.335 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -119.79 -60.86 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.087 -0.245 . . . . 3.34 110.952 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 65.83 24.36 11.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.693 0.621 . . . . 1.9 112.224 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -116.79 -65.56 1.17 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.903 -0.319 . . . . 2.14 111.332 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.03 73.06 5.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.236 0.541 . . . . 3.89 111.286 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 22' ' ' ARG . 2.2 t -122.26 44.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.862 -0.422 . . . . 1.55 109.862 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.31 1.82 1.73 Allowed 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.364 -0.38 . . . . 1.78 111.844 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.94 -52.59 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.02 0.928 . . . . 1.53 112.262 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 28.1 mmtp -67.57 -50.51 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.038 0.535 . . . . 4.2 112.192 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -73.09 -14.72 61.45 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.274 0.472 . . . . 1.48 112.274 -178.675 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 1.8 tmt_? -52.09 -49.87 62.72 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 124.127 0.892 . . . . 3.46 112.132 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.74 -31.48 46.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.216 -0.902 . . . . 2.64 111.359 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -53.75 -56.3 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.735 0.647 . . . . 3.54 112.096 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 42' ' ' MET . 6.4 m -65.59 -27.91 42.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 112.507 0.558 . . . . 1.84 112.507 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 41.3 mt-10 -69.2 -40.05 78.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.853 0.358 . . . . 1.84 110.28 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.05 72.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.162 -0.472 . . . . 1.25 111.251 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.64 88.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 1.09 111.429 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.423 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 1.6 ptm -63.87 -34.87 78.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.117 -0.492 . . . . 1.44 111.881 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.45 32.63 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.918 -0.488 . . . . 1.39 109.809 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.23 -40.91 87.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.307 -0.86 . . . . 2.08 111.23 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.24 5.4 45.0 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.182 -0.463 . . . . 1.19 111.791 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.59 31.91 21.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.659 0.743 . . . . 2.04 110.635 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.58 143.41 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.011 -0.995 . . . . 1.77 110.764 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 50' ' ' ASN . 1.7 pt -135.34 109.78 10.49 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.289 -0.634 . . . . 2.03 109.289 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.97 21.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.485 1.027 0 C-N-CA 123.222 2.615 . . . . 0.92 113.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' A' ' 48' ' ' ILE . 40.6 m-80 53.85 -150.87 0.37 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.304 -0.407 . . . . 1.55 110.131 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.39 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.608 -0.886 . . . . 3.53 108.608 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -30.49 53.09 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.312 -0.625 . . . . 1.65 109.312 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.3 -28.07 67.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.084 -0.507 . . . . 0.97 111.462 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -71.83 -11.22 60.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.01 -0.541 . . . . 1.67 110.352 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -102.08 26.33 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.216 0.531 . . . . 2.12 110.721 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD23 HD23 ' B' ' 56' ' ' LEU . 7.5 tp -138.16 60.97 1.6 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 1.44 109.57 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.5 153.29 17.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 1.86 110.453 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.099 0 C-N-CA 120.51 -0.853 . . . . 2.76 113.244 179.593 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 109.079 -0.711 . . . . 1.95 109.079 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -65.96 139.68 58.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.999 -1.0 . . . . 1.74 112.538 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -64.64 -31.93 73.37 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.327 -0.851 . . . . 1.27 109.491 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -56.17 -40.38 73.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.663 -0.495 . . . . 1.15 109.663 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.9 m-20 -56.72 -51.13 70.01 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.734 0.778 . . . . 1.81 110.532 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.36 -48.99 79.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 CA-C-N 114.491 -1.231 . . . . 1.6 112.027 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.79 88.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.968 0.413 . . . . 1.22 111.85 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.17 -44.08 97.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.229 -0.441 . . . . 2.73 110.281 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.41 -33.75 76.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.945 -0.571 . . . . 1.71 111.273 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.49 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.321 0.489 . . . . 1.21 112.321 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.65 38.36 91.43 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 121.722 -0.275 . . . . 1.53 112.586 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 32.5 m -131.43 -170.13 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.189 -0.3 . . . . 1.79 110.189 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -78.06 174.13 11.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.26 0.553 . . . . 2.16 110.699 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -26.49 37.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.523 -0.762 . . . . 2.19 110.022 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.645 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -79.76 -13.7 59.25 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.859 -0.336 . . . . 3.17 111.224 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.64 -20.9 23.12 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 112.578 0.585 . . . . 1.41 112.578 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -32.82 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 C-N-CA 120.737 -0.385 . . . . 1.62 111.929 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -44.18 17.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.282 0.563 . . . . 1.86 109.888 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.645 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 2.2 ttt180 -44.11 -37.13 2.91 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.791 1.236 . . . . 5.24 113.556 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 p -78.47 -14.74 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 112.059 0.392 . . . . 1.77 112.059 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.8 -72.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.015 0.436 . . . . 1.97 110.688 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -164.56 79.03 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.773 -0.649 . . . . 3.75 109.646 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -151.68 -66.3 0.18 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.182 0.515 . . . . 4.82 110.768 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.18 125.14 25.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.977 -0.556 . . . . 2.56 110.838 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -89.74 -18.75 25.76 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.448 0.642 . . . . 3.78 110.597 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -69.04 66.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.594 -1.184 . . . . 2.69 111.319 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 t -126.49 146.43 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.263 -0.88 . . . . 1.52 109.189 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . 0.659 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 7.8 m -62.85 138.35 58.51 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.601 -0.518 . . . . 1.85 109.601 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' B' ' 35' ' ' ARG . . . -58.92 -39.38 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 1.48 110.751 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.511 ' HA ' ' OE1' ' B' ' 36' ' ' GLU . 2.8 tptp -66.69 -30.03 70.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 3.68 111.563 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.659 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -82.25 -40.2 21.93 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.358 -0.383 . . . . 1.81 111.091 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' B' ' 32' ' ' ALA . 14.9 ptm180 -78.47 -21.89 48.37 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.851 0.686 . . . . 3.48 112.851 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' B' ' 33' ' ' LYS . 11.9 pt-20 -64.08 -34.52 78.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.104 0.478 . . . . 1.96 110.5 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.14 -38.53 60.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.214 0.53 . . . . 2.82 110.595 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 34' ' ' THR . 21.7 t -64.39 -46.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 1.43 111.026 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.38 -38.41 80.43 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 123.8 0.687 . . . . 2.27 111.058 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.42 0.8 7.42 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 112.128 0.418 . . . . 1.26 112.128 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.29 -45.68 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.119 0.485 . . . . 0.8 110.735 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -30.11 69.9 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.319 -0.401 . . . . 1.52 111.733 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.87 -23.18 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.302 0.572 . . . . 1.06 111.03 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.11 -24.41 47.51 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.107 -0.951 . . . . 2.19 111.684 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -114.56 4.14 15.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.711 0.291 . . . . 1.28 111.143 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 58.9 t30 56.5 73.81 0.43 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.526 -0.761 . . . . 1.84 110.132 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -78.92 94.82 5.29 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.231 -0.441 . . . . 1.28 111.265 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -98.25 141.21 22.58 Favored Pre-proline 0 N--CA 1.442 -0.827 0 N-CA-C 107.037 -1.468 . . . . 1.39 107.037 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.91 106.58 0.11 Allowed 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 121.889 1.726 . . . . 1.38 112.158 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' B' ' 54' ' ' GLN . 63.6 t30 -59.71 119.43 7.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.98 -0.554 . . . . 2.08 111.647 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -82.37 162.86 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.67 . . . . 3.44 109.783 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m 61.99 51.54 3.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.374 0.607 . . . . 1.9 110.4 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 179.12 -24.62 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 123.262 1.506 . . . . 1.21 108.294 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 50' ' ' ASN . 0.8 OUTLIER -88.45 -23.73 23.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.551 -1.204 . . . . 1.74 108.645 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -71.9 -40.13 69.07 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.168 -1.378 . . . . 3.28 109.68 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.425 HD23 HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.96 -31.45 61.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.683 -1.144 . . . . 1.67 109.946 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.52 74.86 1.28 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 121.152 0.501 . . . . 2.13 110.614 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.033 0 C-N-CA 120.832 -0.699 . . . . 2.17 112.747 179.713 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 45' ' ' LEU . 2.7 t . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 121.566 0.698 . . . . 1.84 110.82 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -129.64 176.06 8.31 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.383 -0.826 . . . . 2.09 109.016 179.017 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 1.9 pp -49.97 -35.54 24.69 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.704 0.631 . . . . 1.21 112.704 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.458 ' N ' HD12 ' A' ' 6' ' ' LEU . 28.5 m-85 -64.36 -34.84 79.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.479 0.181 . . . . 1.86 111.482 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.6 -40.25 29.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.272 -0.422 . . . . 2.12 110.491 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' THR . 3.6 t -68.29 -35.16 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.082 0.468 . . . . 0.92 110.884 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.08 -54.44 46.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.434 -0.803 . . . . 1.02 111.544 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -64.27 -36.95 85.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.044 0.449 . . . . 2.45 110.69 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.417 ' CG ' HD11 ' A' ' 45' ' ' LEU . 50.6 t80 -63.45 -50.28 70.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.205 0.526 . . . . 1.78 110.692 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -73.41 -26.39 60.94 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.122 -0.631 . . . . 1.11 111.612 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.06 29.87 21.73 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.499 -0.858 . . . . 1.17 111.969 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 13' ' ' ALA . 6.4 m -132.06 -173.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 N-CA-C 109.729 -0.471 . . . . 1.08 109.729 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.7 p -73.98 164.13 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.971 0.415 . . . . 1.92 110.187 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.628 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 4.7 p90 -85.0 7.8 20.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.038 -0.528 . . . . 0.97 111.519 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -115.08 -10.75 12.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 120.455 -0.498 . . . . 2.23 111.503 -179.128 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -73.05 -42.52 63.03 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 117.818 0.281 . . . . 1.21 110.852 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.98 -35.03 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.165 0.507 . . . . 1.59 111.733 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -85.2 -14.89 45.44 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.786 -0.572 . . . . 1.6 110.776 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 14.9 tpt180 -70.46 -26.29 63.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.946 -0.57 . . . . 4.27 111.028 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.72 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 1.76 110.6 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.84 -22.67 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.637 -0.711 . . . . 1.87 112.369 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -77.16 -64.26 1.18 Allowed 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.541 -0.754 . . . . 1.67 112.04 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -146.07 -11.96 0.49 Allowed 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.862 0.69 . . . . 3.34 112.862 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.69 49.32 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.196 0.599 . . . . 1.9 111.623 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.51 -60.31 1.55 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.4 -0.818 . . . . 2.14 111.905 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -79.65 94.17 5.64 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 110.036 -0.357 . . . . 3.89 110.036 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.417 ' CG1' ' HG2' ' A' ' 35' ' ' ARG . 25.3 t -138.01 -31.21 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.619 -0.719 . . . . 1.55 111.064 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 3.6 t 63.94 5.13 2.22 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.808 0.843 . . . . 1.78 111.604 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.97 -43.03 0.55 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.476 0.71 . . . . 1.53 111.619 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' SER . 20.8 mtmt -58.61 -53.01 63.12 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 122.653 0.381 . . . . 4.2 111.252 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.61 60.08 6.02 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.396 0.517 . . . . 1.48 112.396 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HG2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -99.6 -48.67 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 3.46 111.54 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -39.57 71.49 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.519 -0.309 . . . . 2.64 111.808 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 123.654 0.596 . . . . 3.54 112.078 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.43 -45.28 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.875 0 N-CA-C 112.197 0.443 . . . . 1.84 112.197 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.69 -42.5 83.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.665 -0.698 . . . . 1.84 111.809 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.01 63.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.632 -0.713 . . . . 1.25 111.218 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -51.71 64.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.923 -0.58 . . . . 1.09 112.403 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.0 ptp -65.16 -26.88 68.36 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.729 0.64 . . . . 1.44 112.729 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -43.12 14.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.403 0.52 . . . . 1.39 112.403 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.11 -42.99 99.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.404 0.89 . . . . 2.08 113.404 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 4' ' ' VAL . 96.0 mt -89.09 -11.39 44.16 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.642 0.608 . . . . 1.19 112.642 -177.813 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 32.0 t30 68.13 97.03 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.071 -1.085 . . . . 2.04 108.071 -177.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.525 ' CE2' ' HG3' ' A' ' 49' ' ' PRO . 13.8 t80 -131.6 134.33 45.92 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.063 -0.517 . . . . 1.77 111.995 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.25 104.66 43.09 Favored Pre-proline 0 N--CA 1.456 -0.132 0 N-CA-C 108.431 -0.952 . . . . 2.03 108.431 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 81.7 Cg_exo -58.57 4.22 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 124.231 3.287 . . . . 0.92 115.728 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 68.13 168.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.323 1.058 . . . . 1.55 113.58 177.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.58 -16.87 1.76 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.236 -1.347 . . . . 3.53 109.098 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.629 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -99.44 -51.25 3.83 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.233 -0.894 . . . . 1.65 112.632 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.32 64.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.029 0.442 . . . . 0.97 111.932 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -71.67 8.02 1.28 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.557 -0.747 . . . . 1.67 112.088 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -128.72 22.28 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.872 0.367 . . . . 2.12 111.245 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 tp -110.61 -4.17 15.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.083 -0.508 . . . . 1.44 110.965 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.95 12.2 7.21 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.281 -0.567 . . . . 1.86 112.341 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.597 0 N-CA-C 111.666 -0.574 . . . . 2.76 111.666 -178.312 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 107.929 -1.137 . . . . 1.95 107.929 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 47.9 p -133.1 168.57 18.26 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 123.633 0.583 . . . . 1.74 109.684 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' B' ' 6' ' ' LEU . 1.4 mt -75.25 -14.1 60.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.834 0.826 . . . . 1.27 109.053 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.82 -33.64 45.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.958 -1.019 . . . . 1.15 108.816 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.0 -39.68 93.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.058 -0.974 . . . . 1.81 110.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.26 -43.4 97.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.386 -1.279 . . . . 1.6 110.424 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.16 -24.07 62.18 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.768 0.794 . . . . 1.22 110.652 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.16 -53.72 11.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.705 -1.134 . . . . 2.73 110.558 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -62.74 -50.21 71.97 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.447 0.536 . . . . 1.71 112.447 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.409 ' HB2' ' HA ' ' B' ' 38' ' ' VAL . . . -67.68 -15.36 63.6 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 113.53 0.937 . . . . 1.21 113.53 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.6 41.24 44.28 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 111.292 -0.723 . . . . 1.53 111.292 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.27 -174.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.318 0.247 . . . . 1.79 110.577 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' B' ' 18' ' ' GLN . 0.8 OUTLIER -110.11 172.28 6.96 Favored 'General case' 0 N--CA 1.426 -1.634 0 O-C-N 123.87 0.731 . . . . 2.16 109.695 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -77.24 61.52 2.13 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.756 0.822 . . . . 2.19 109.525 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.42 ' H ' ' H ' ' B' ' 19' ' ' THR . 1.0 OUTLIER -161.56 -23.05 0.05 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.905 -1.146 . . . . 3.17 107.905 178.589 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . 0.42 ' H ' ' H ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -94.78 -15.06 24.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.796 -1.093 . . . . 1.41 109.036 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 m -88.01 -22.65 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 113.161 0.8 . . . . 1.62 113.161 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.8 -60.74 2.25 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.145 -0.934 . . . . 1.86 109.55 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.427 ' HD2' HG22 ' B' ' 30' ' ' VAL . 16.4 ptt180 -59.24 -18.96 41.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.254 0.835 . . . . 5.24 113.254 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.655 HG21 ' HB ' ' B' ' 38' ' ' VAL . 1.4 p -78.6 -14.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.317 -0.553 . . . . 1.77 110.833 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.99 -69.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 123.455 0.472 . . . . 1.97 111.185 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -152.71 27.04 0.56 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.968 0.413 . . . . 3.75 110.698 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -138.46 46.01 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.485 0.66 . . . . 4.82 110.566 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.99 88.11 4.43 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.741 -1.118 . . . . 2.56 110.754 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.9 p -77.59 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.41 -0.359 . . . . 3.78 110.373 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -123.95 43.16 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.368 -0.234 . . . . 2.69 110.368 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' VAL . . . . . 0.427 HG22 ' HD2' ' B' ' 22' ' ' ARG . 14.9 t -80.24 138.46 19.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.604 -0.517 . . . . 1.52 109.604 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.4 t -61.1 117.5 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.317 0.385 . . . . 1.85 110.407 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -25.55 50.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.845 -0.616 . . . . 1.48 112.087 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 93.6 mttt -59.39 -53.86 53.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.514 0.673 . . . . 3.68 111.114 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.547 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.3 OUTLIER -80.17 -26.4 39.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 1.81 111.882 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -31.01 71.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 3.48 111.583 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 4.2 pt-20 -77.94 -26.8 49.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.248 -0.282 . . . . 1.96 110.468 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -73.51 -40.24 64.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.911 0.386 . . . . 2.82 110.665 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.655 ' HB ' HG21 ' B' ' 23' ' ' VAL . 2.2 t -67.68 -35.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 119.987 -0.685 . . . . 1.43 109.281 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.65 -40.12 80.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.76 -0.459 . . . . 2.27 109.76 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.73 86.34 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.164 -0.68 . . . . 1.26 109.164 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.8 95.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.091 0.472 . . . . 0.8 110.948 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.9 mtm -63.07 -38.79 92.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 1.52 111.252 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.07 -36.18 66.81 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.488 0.492 . . . . 1.06 111.283 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.43 -48.34 56.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.277 -0.42 . . . . 2.19 111.532 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.22 -2.92 58.57 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.105 0.409 . . . . 1.28 112.105 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.06 52.67 5.0 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.703 0.763 . . . . 1.84 109.451 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -75.64 103.99 5.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.317 -0.856 . . . . 1.28 110.973 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mt -116.37 131.84 23.62 Favored Pre-proline 0 C--N 1.315 -0.898 0 N-CA-C 107.62 -1.252 . . . . 1.39 107.62 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -30.32 105.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.197 3.265 . . . . 1.38 113.302 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -63.39 136.44 57.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.263 -0.88 . . . . 2.08 111.553 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.9 179.48 7.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.589 -0.732 . . . . 3.44 109.771 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.0 m 56.33 36.54 27.67 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 122.259 1.028 . . . . 1.9 109.983 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.431 ' H ' ' H ' ' B' ' 54' ' ' GLN . . . -168.27 -18.02 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 113.902 -1.499 . . . . 1.21 110.722 -178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' GLN . . . . . 0.431 ' H ' ' H ' ' B' ' 53' ' ' ALA . 6.4 mm-40 -85.85 -32.28 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.516 -0.766 . . . . 1.74 109.451 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -82.83 -27.49 30.83 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.807 -0.812 . . . . 3.28 108.807 179.385 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 tp -81.64 -45.68 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.541 -1.209 . . . . 1.67 110.693 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.22 108.49 19.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.394 0.616 . . . . 2.13 110.687 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.668 0 C-N-CA 119.885 -1.15 . . . . 2.17 111.79 179.703 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 45' ' ' LEU . 34.6 m . . . . . 0 N--CA 1.434 -1.225 0 CA-C-O 121.242 0.544 . . . . 1.84 111.311 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.443 ' OG1' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -96.61 169.48 9.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.173 -0.467 . . . . 2.09 110.85 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -46.07 -26.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.39 0.676 . . . . 1.21 112.428 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -62.49 -40.93 98.27 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.704 0.288 . . . . 1.86 111.265 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.61 -35.08 62.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.208 0.528 . . . . 2.12 110.682 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.16 -37.3 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.236 -0.893 . . . . 0.92 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -53.24 60.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.502 -0.772 . . . . 1.02 110.846 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -62.09 -44.9 95.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 2.45 110.425 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -58.23 -38.82 77.59 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.887 -1.052 . . . . 1.78 111.804 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.83 -15.02 28.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 1.11 111.863 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.25 31.08 32.18 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 120.558 -0.829 . . . . 1.17 113.538 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.07 -164.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.346 -0.613 . . . . 1.08 109.346 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.7 p -89.32 170.45 10.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.535 -0.542 . . . . 1.92 109.535 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.543 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 26.0 p90 -82.4 22.3 0.86 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.085 -0.507 . . . . 0.97 111.009 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -117.8 -32.7 4.74 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.641 -0.709 . . . . 2.23 109.944 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -37.95 81.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.591 0.71 . . . . 1.21 109.407 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.32 -31.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.138 -0.937 . . . . 1.59 112.15 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -81.71 -19.82 40.71 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.702 0.763 . . . . 1.6 109.93 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -60.81 -34.74 74.98 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.155 -0.929 . . . . 4.27 111.364 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 47.8 t -73.75 -56.33 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 115.627 -0.715 . . . . 1.76 111.4 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -19.98 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 113.297 0.851 . . . . 1.87 113.297 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -96.01 -57.88 2.24 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.747 0.647 . . . . 1.67 112.747 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -104.79 -54.59 2.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.228 0.455 . . . . 3.34 112.228 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . 64.5 38.04 7.69 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.821 -0.627 . . . . 1.9 110.757 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -108.69 -75.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.05 0.452 . . . . 2.14 110.779 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -109.43 78.66 1.15 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.972 -0.558 . . . . 3.89 110.846 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 32' ' ' ALA . 20.7 t -93.89 58.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 1.55 109.96 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t 64.81 -18.67 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.531 -0.759 . . . . 1.78 112.774 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.52 -49.27 0.69 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.732 0.813 . . . . 1.53 111.105 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -88.89 -4.8 58.36 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.4 -0.364 . . . . 4.2 110.363 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.608 HG23 ' HE2' ' A' ' 37' ' ' LYS . 1.1 m -133.74 45.72 2.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.516 0.674 . . . . 1.48 111.408 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -102.35 -42.56 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.275 0.56 . . . . 3.46 110.217 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -39.5 77.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.716 -0.675 . . . . 2.64 110.312 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.608 ' HE2' HG23 ' A' ' 34' ' ' THR . 12.0 mtmm -58.2 -43.65 87.71 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.497 -0.774 . . . . 3.54 112.783 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -74.59 -33.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.801 0.297 . . . . 1.84 111.801 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.0 -40.57 83.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.303 0.573 . . . . 1.84 110.136 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.3 -39.85 71.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.606 . . . . 1.25 110.577 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.12 97.3 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.941 -0.572 . . . . 1.09 111.531 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ptm -65.27 -35.45 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.864 -0.334 . . . . 1.44 111.535 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.74 63.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.683 0.277 . . . . 1.39 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.68 -49.55 74.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.397 0.618 . . . . 2.08 112.002 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB3' HG21 ' A' ' 4' ' ' VAL . 53.4 mt -86.2 2.6 46.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.369 -0.832 . . . . 1.19 112.138 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t30 57.03 36.99 28.46 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.582 0.706 . . . . 2.04 109.188 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 33.0 t80 -66.85 142.14 57.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.83 -0.623 . . . . 1.77 110.848 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.91 110.75 13.18 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.991 -1.004 . . . . 2.03 109.89 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -55.36 0.58 0.12 Allowed 'Trans proline' 0 N--CA 1.484 0.961 0 C-N-CA 123.047 2.498 . . . . 0.92 115.659 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 58.81 -168.34 0.14 Allowed 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.086 0.469 . . . . 1.55 111.604 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -148.49 -35.7 0.2 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.411 0.624 . . . . 3.53 109.775 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' ' CA ' ' B' ' 52' ' ' CYS . 63.6 m -64.28 -49.47 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.548 -0.751 . . . . 1.65 111.504 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.58 75.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.913 -0.585 . . . . 0.97 111.49 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -62.56 -20.88 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 1.67 112.536 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.26 15.39 22.37 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.26 0.553 . . . . 2.12 111.064 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.738 HD22 HD23 ' B' ' 56' ' ' LEU . 4.8 tp -106.67 -29.11 9.79 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.735 -0.469 . . . . 1.44 109.735 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -64.55 0.84 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.801 0.667 . . . . 1.86 112.801 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.592 0 C-N-CA 120.127 -1.035 . . . . 2.76 113.035 179.208 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 109.69 -0.485 . . . . 1.95 109.69 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' THR . . . . . 0.406 ' O ' HG23 ' B' ' 9' ' ' VAL . 62.3 p -144.95 172.2 13.38 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.035 -1.098 . . . . 1.74 108.035 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 6' ' ' LEU . 14.2 mt -71.58 -13.41 61.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.277 0.56 . . . . 1.27 110.643 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -83.49 -34.16 25.42 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.237 0.542 . . . . 1.15 109.924 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.72 -44.93 69.33 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.7 -0.682 . . . . 1.81 110.544 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 5' ' ' THR . 19.7 t -59.95 -36.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.838 -1.074 . . . . 1.6 110.499 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.44 72.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.065 -0.516 . . . . 1.22 111.72 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.69 -51.24 65.94 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.464 -0.789 . . . . 2.73 109.645 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.18 -39.03 88.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.521 -0.763 . . . . 1.71 111.061 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.515 ' O ' ' HE2' ' B' ' 37' ' ' LYS . . . -69.97 -20.76 63.29 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.518 0.511 . . . . 1.21 111.679 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.98 71.71 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 121.289 -0.481 . . . . 1.53 113.009 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -137.48 178.99 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 122.551 -0.382 . . . . 1.79 110.13 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -91.5 177.72 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.861 0.839 . . . . 2.16 110.778 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -76.82 113.17 14.19 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.661 -0.7 . . . . 2.19 109.338 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 158.15 -58.8 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.65 1.18 . . . . 3.17 108.938 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -34.11 76.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.354 -0.839 . . . . 1.41 112.125 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.527 ' O ' HG12 ' B' ' 23' ' ' VAL . 18.4 t -77.68 -39.06 26.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.787 0.662 . . . . 1.62 112.787 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -25.25 60.49 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.491 0.552 . . . . 1.86 112.491 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.88 -25.13 28.17 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 112.108 0.41 . . . . 5.24 112.108 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' VAL . . . . . 0.527 HG12 ' O ' ' B' ' 20' ' ' VAL . 4.4 p -69.52 -24.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.657 -0.417 . . . . 1.77 111.178 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.21 -3.22 10.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 1.97 109.536 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -117.01 -73.88 0.63 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.545 -0.298 . . . . 3.75 111.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -165.09 77.39 0.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.294 0.569 . . . . 4.82 110.699 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.56 96.4 9.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.415 -0.811 . . . . 2.56 110.404 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.3 m -112.23 -41.48 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.731 -0.668 . . . . 3.78 110.257 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.99 32.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 2.69 111.519 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 t -118.46 144.99 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.189 -0.46 . . . . 1.52 109.768 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -65.76 -112.89 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.41 0.624 . . . . 1.85 112.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.63 -55.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.053 -0.404 . . . . 1.48 110.728 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -50.57 -41.98 54.99 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.769 0.668 . . . . 3.68 112.78 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -19.48 35.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.078 0.466 . . . . 1.81 111.615 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -73.51 -38.44 65.33 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.785 -0.643 . . . . 3.48 111.748 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -73.5 -31.18 63.59 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.48 -0.327 . . . . 1.96 110.92 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LYS . . . . . 0.515 ' HE2' ' O ' ' B' ' 13' ' ' ALA . 49.2 mtpt -64.86 -42.49 94.82 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 122.282 -0.261 . . . . 2.82 110.789 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.31 -31.33 38.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 120.531 -0.467 . . . . 1.43 110.888 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.53 -48.43 77.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.382 -0.969 . . . . 2.27 108.382 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.93 91.97 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.417 -0.81 . . . . 1.26 110.655 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' B' ' 13' ' ' ALA . . . -60.93 -51.54 68.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.954 -0.567 . . . . 0.8 111.838 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -66.23 -29.11 69.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 121.189 -0.204 . . . . 1.52 111.281 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.03 -40.07 32.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.586 -0.279 . . . . 1.06 111.081 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.23 -51.23 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 2.19 110.782 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -85.23 -2.83 58.48 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.658 -0.247 . . . . 1.28 111.285 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 54.82 64.28 1.86 Allowed 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.734 -0.666 . . . . 1.84 110.349 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -68.11 126.58 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.641 0.734 . . . . 1.28 112.396 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 mt -129.65 125.29 22.25 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.949 -1.023 . . . . 1.39 108.25 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -54.74 95.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.667 2.245 . . . . 1.38 110.954 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -78.48 142.33 37.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.637 -1.165 . . . . 2.08 111.556 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -83.03 -163.17 0.69 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.796 -1.187 . . . . 3.44 107.796 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' CYS . . . . . 0.41 ' CA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m 55.61 48.4 18.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.011 1.386 . . . . 1.9 108.564 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 172.7 -13.1 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.046 -1.888 . . . . 1.21 109.402 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.87 -51.59 5.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.629 -0.714 . . . . 1.74 109.083 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -66.58 -37.29 84.61 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.062 -1.088 . . . . 3.28 108.062 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.738 HD23 HD22 ' A' ' 56' ' ' LEU . 17.2 tp -65.35 -37.14 86.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.651 -1.159 . . . . 1.67 110.325 177.671 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.72 -29.91 67.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 2.13 110.031 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.756 0 C-N-CA 120.724 -0.75 . . . . 2.17 112.766 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.428 -1.562 0 CA-C-O 121.323 0.582 . . . . 1.84 110.29 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -139.47 -173.82 3.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.077 -0.965 . . . . 2.09 109.7 -178.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.832 HD13 ' HB2' ' A' ' 17' ' ' TYR . 2.2 pp -53.28 -21.54 5.64 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.646 0.609 . . . . 1.21 112.646 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.591 ' HD1' HD12 ' A' ' 6' ' ' LEU . 2.7 m-30 -66.17 -29.93 70.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 1.86 110.617 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -94.58 -45.78 7.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.251 0.548 . . . . 2.12 111.226 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.77 -34.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.401 -0.818 . . . . 0.92 111.85 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.85 74.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.531 -0.304 . . . . 1.02 111.234 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -65.25 -47.72 75.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.081 -0.509 . . . . 2.45 111.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -61.49 -38.44 87.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 1.78 111.267 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.94 -17.79 42.34 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.396 0.887 . . . . 1.11 113.396 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 31.38 58.94 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.922 -0.656 . . . . 1.17 113.894 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -138.89 173.97 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.764 -0.458 . . . . 1.08 109.764 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 p -73.28 170.68 14.52 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.051 -0.722 . . . . 1.92 109.051 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.832 ' HB2' HD13 ' A' ' 6' ' ' LEU . 5.2 p90 -75.92 -13.06 60.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.344 -0.542 . . . . 0.97 110.7 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.27 -33.29 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 2.23 109.964 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -34.24 77.66 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.89 -0.596 . . . . 1.21 110.299 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.25 -38.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.573 -0.899 . . . . 1.59 108.573 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.1 m -63.12 -24.26 67.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.371 -0.831 . . . . 1.6 110.421 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -71.63 -51.87 20.96 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.411 0.523 . . . . 4.27 112.411 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -64.51 -27.31 42.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 112.829 0.677 . . . . 1.76 112.829 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 m -84.48 -29.5 7.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 O-C-N 121.781 -0.574 . . . . 1.87 110.685 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.46 -69.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.652 -0.249 . . . . 1.67 110.978 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -143.97 -12.11 0.65 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.761 0.652 . . . . 3.34 112.761 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.68 54.64 6.15 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.96 0.409 . . . . 1.9 110.946 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -82.8 0.32 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.39 0.614 . . . . 2.14 112.59 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -92.79 67.29 4.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.665 -0.414 . . . . 3.89 111.772 -177.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 32' ' ' ALA . 1.9 t -101.43 37.75 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.464 -0.334 . . . . 1.55 111.27 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m 70.08 -25.89 0.16 Allowed 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.82 0.7 . . . . 1.78 112.081 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 77.7 -6.32 2.0 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.992 0.917 . . . . 1.53 110.688 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.27 7.36 4.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.287 0.565 . . . . 4.2 110.065 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.74 27.11 4.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.661 0.743 . . . . 1.48 109.584 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -93.54 -40.52 10.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.582 -0.735 . . . . 3.46 109.899 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -25.58 62.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.908 -0.775 . . . . 2.64 108.908 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -54.42 45.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.302 -1.317 . . . . 3.54 111.874 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -76.35 -28.16 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.636 -0.711 . . . . 1.84 112.163 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 42' ' ' MET . 25.3 mt-10 -68.12 -43.45 78.35 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.944 -0.473 . . . . 1.84 111.152 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.39 95.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 1.25 110.266 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.99 3.51 12.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.147 0.499 . . . . 1.09 111.601 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.48 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 15.3 ttp -88.49 -59.27 2.28 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.885 -1.154 . . . . 1.44 107.885 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.12 62.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.037 -0.529 . . . . 1.39 111.857 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.7 -48.73 73.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.601 0.963 . . . . 2.08 113.601 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.94 -7.34 49.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.568 0.167 . . . . 1.19 111.278 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 76.94 54.28 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 123.41 1.576 . . . . 2.04 109.586 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 5.4 t80 -74.24 122.48 22.9 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.996 -1.456 . . . . 1.77 110.816 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.8 mm -114.32 102.65 54.97 Favored Pre-proline 0 N--CA 1.468 0.452 0 C-N-CA 123.914 0.886 . . . . 2.03 110.812 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.87 34.38 0.32 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.258 2.639 . . . . 0.92 113.466 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 49.56 -168.72 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.308 0.855 . . . . 1.55 113.308 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 51' ' ' ARG . 5.5 tpp180 -94.89 -66.93 0.88 Allowed 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 121.676 -0.64 . . . . 3.53 110.911 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.14 42.96 2.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.737 0.78 . . . . 1.65 112.169 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -19.17 64.73 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.541 -1.209 . . . . 0.97 111.45 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -81.59 -7.28 59.57 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.584 -0.735 . . . . 1.67 111.754 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -93.05 33.8 1.15 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.592 -0.443 . . . . 2.12 111.013 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.578 HD22 HD23 ' B' ' 56' ' ' LEU . 9.3 tp -129.73 3.6 4.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.805 0.812 . . . . 1.44 110.419 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.45 2.98 6.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.046 -0.979 . . . . 1.86 109.512 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.88 0 C-N-CA 120.193 -1.003 . . . . 2.76 110.695 179.747 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.439 -0.984 0 N-CA-C 108.823 -0.806 . . . . 1.95 108.823 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.9 p -68.65 164.13 22.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.535 0.939 . . . . 1.74 113.535 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.61 -17.46 61.68 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.423 -0.808 . . . . 1.27 109.796 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.03 -41.33 70.96 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.225 0.536 . . . . 1.15 109.931 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.46 -60.29 3.76 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 115.321 -0.854 . . . . 1.81 110.362 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.449 HG11 ' HB2' ' B' ' 47' ' ' TYR . 12.5 m -56.05 -26.16 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 116.051 -0.522 . . . . 1.6 111.152 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ALA . . . . . 0.418 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -74.79 -41.2 60.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.632 0.729 . . . . 1.22 110.499 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.63 -50.17 65.99 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.417 -0.811 . . . . 2.73 111.661 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' B' ' 44' ' ' GLU . 36.0 t80 -62.98 -27.19 69.24 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.927 -0.579 . . . . 1.71 110.665 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ALA . . . . . 0.538 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -78.77 -14.59 59.19 Favored 'General case' 0 C--O 1.244 0.776 0 O-C-N 121.064 -1.022 . . . . 1.21 113.459 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.21 31.85 63.42 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.365 -0.922 . . . . 1.53 111.028 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' B' ' 13' ' ' ALA . 27.7 m -131.77 -169.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.02 -0.363 . . . . 1.79 110.02 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -108.84 169.97 8.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.332 0.587 . . . . 2.16 112.231 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -78.75 65.14 3.91 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.069 0.938 . . . . 2.19 109.399 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLN . . . . . 0.521 ' O ' ' HD2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -167.14 -38.45 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 113.808 -1.542 . . . . 3.17 109.376 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -30.15 62.42 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.438 -0.801 . . . . 1.41 110.676 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' VAL . . . . . 0.441 ' HA ' HG11 ' B' ' 38' ' ' VAL . 18.1 t -61.9 -61.81 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 113.9 -1.5 . . . . 1.62 111.265 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -61.47 -50.73 71.6 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.104 -0.638 . . . . 1.86 111.474 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -49.84 -46.5 51.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.899 0.703 . . . . 5.24 112.899 -177.748 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -11.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 114.561 1.319 . . . . 1.77 114.561 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.82 -62.63 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 120.842 0.354 . . . . 1.97 110.26 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.5 29.24 0.01 OUTLIER 'General case' 0 C--N 1.342 0.278 0 N-CA-C 108.834 -0.802 . . . . 3.75 108.834 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -122.04 18.08 10.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.219 -0.9 . . . . 4.82 111.29 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.38 171.57 20.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.881 0.372 . . . . 2.56 111.622 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -136.0 -56.97 0.77 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.132 -0.485 . . . . 3.78 111.827 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 69.62 10.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.081 0.4 . . . . 2.69 112.081 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 30.7 t -113.03 137.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 1.52 108.251 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -49.59 119.13 3.2 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.557 0.536 . . . . 1.85 111.178 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.51 -23.07 64.25 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.554 0.342 . . . . 1.48 111.495 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -68.45 -43.1 77.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 3.68 111.133 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' THR . . . . . 0.5 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -86.27 -19.8 29.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.368 -0.378 . . . . 1.81 110.582 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -55.1 -51.46 66.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.943 -0.571 . . . . 3.48 110.527 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -23.11 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.93 -0.577 . . . . 1.96 111.546 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -70.64 -46.44 63.29 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.916 -0.49 . . . . 2.82 110.955 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 34' ' ' THR . 14.5 t -63.79 -44.68 98.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 1.43 111.192 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -45.35 93.3 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 109.967 -0.383 . . . . 2.27 109.967 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -53.0 -39.89 63.43 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.42 -0.809 . . . . 1.26 111.039 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.69 -46.16 26.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.165 0.431 . . . . 0.8 112.165 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.3 mtm -57.21 -38.41 73.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 1.52 111.004 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -30.66 32.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.786 0.327 . . . . 1.06 111.282 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 2.7 tp10 -56.27 -55.34 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 2.19 111.446 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.46 -7.5 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.009 -0.367 . . . . 1.28 110.009 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 62.08 80.72 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.831 -0.622 . . . . 1.84 110.899 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' TYR . . . . . 0.449 ' HB2' HG11 ' B' ' 9' ' ' VAL . 12.5 t80 -66.31 117.36 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 1.28 111.71 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -120.34 126.93 26.57 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.048 -1.093 . . . . 1.39 108.048 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -40.62 110.18 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.553 2.836 . . . . 1.38 113.198 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -64.91 139.65 58.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 2.08 111.559 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -87.64 170.78 10.98 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.761 -0.654 . . . . 3.44 109.873 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 33.8 m 60.92 37.93 17.97 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 124.061 0.851 . . . . 1.9 109.962 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.38 -23.54 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 114.217 -1.356 . . . . 1.21 111.36 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -73.9 -32.36 63.54 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.233 -1.395 . . . . 1.74 107.233 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.72 -37.76 65.02 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.279 -1.328 . . . . 3.28 109.915 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LEU . . . . . 0.578 HD23 HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -62.62 -60.01 4.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.141 -0.936 . . . . 1.67 110.638 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.05 79.9 9.22 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.723 -0.671 . . . . 2.13 111.822 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.711 0 C-N-CA 120.841 -0.695 . . . . 2.17 113.091 179.002 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.505 ' SD ' ' HA ' ' B' ' 61' ' ' SER . 22.3 ptm . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.54 -0.541 . . . . 5.8 109.54 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -69.65 117.58 54.52 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-O 120.409 0.147 . . . . 5.24 110.617 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -81.17 59.4 7.39 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.98 1.787 . . . . 3.92 111.839 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 8' ' ' ASP . 2.4 p -90.63 98.51 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.728 0.775 . . . . 1.84 110.197 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.815 HG21 H5'' ' D' ' 12' ' ' ' DG' . 49.0 p -110.42 -168.43 1.31 Allowed 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.653 -0.703 . . . . 2.09 109.986 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.484 HD22 ' OP2' ' D' ' 13' ' ' ' DC' . 2.4 pt? -54.1 -16.32 1.94 Allowed 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.68 0.613 . . . . 1.21 112.356 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -79.98 -37.54 34.08 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.344 0.52 . . . . 1.86 111.088 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' HB2' HG23 ' A' ' 4' ' ' VAL . 5.4 m-20 -76.97 -36.35 56.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.527 . . . . 2.12 111.614 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.74 -20.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 0.92 110.73 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 15' ' ' VAL . . . -62.33 -60.81 3.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 1.02 110.879 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -37.14 81.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.973 0.416 . . . . 2.45 111.194 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.34 -31.29 67.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.399 -0.364 . . . . 1.78 111.59 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.47 -12.46 18.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.531 0.205 . . . . 1.11 111.215 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.2 29.01 32.02 Favored Glycine 0 C--O 1.229 -0.174 0 C-N-CA 120.498 -0.858 . . . . 1.17 113.05 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 2.8 m -138.01 -168.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 109.411 -0.588 . . . . 1.08 109.411 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.3 p -94.46 -167.88 1.74 Allowed 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.65 -0.5 . . . . 1.92 109.65 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.471 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.9 p90 -90.56 4.82 50.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.586 -0.446 . . . . 0.97 111.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.54 HE22 ' H41' ' D' ' 15' ' ' ' DC' . 23.4 tp60 -91.63 -36.19 13.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.69 -0.404 . . . . 2.23 110.152 -179.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -32.74 74.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 109.572 -0.529 . . . . 1.21 109.572 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.08 -50.96 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.626 -0.716 . . . . 1.59 109.708 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.47 -16.19 61.81 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.236 -0.438 . . . . 1.6 112.13 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -38.74 59.66 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.994 -0.548 . . . . 4.27 111.875 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 11.9 m -89.14 -11.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 112.726 0.639 . . . . 1.76 112.726 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.73 -28.07 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 1.87 111.146 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -96.56 -53.67 3.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.684 0.624 . . . . 1.67 112.684 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -134.02 -33.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.577 0.584 . . . . 3.34 112.577 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 69.87 47.19 0.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.45 0.469 . . . . 1.9 111.645 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.82 -134.97 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.891 0.476 . . . . 2.14 111.117 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -77.42 83.83 3.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.173 0.511 . . . . 3.89 110.07 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.8 t -86.43 67.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.846 -0.615 . . . . 1.55 109.987 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 m 67.31 -7.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.643 -0.708 . . . . 1.78 112.667 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 75.12 -27.96 0.19 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.174 0.989 . . . . 1.53 112.601 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -116.29 -3.67 11.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 4.2 111.773 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -125.62 29.95 5.86 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.208 -0.451 . . . . 1.48 110.09 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . 23.0 ttm105 -82.51 -48.79 10.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.357 1.075 . . . . 3.46 109.418 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -22.22 34.13 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.165 -1.379 . . . . 2.64 109.257 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.85 -49.29 75.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.504 -0.771 . . . . 3.54 111.37 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -65.64 -38.58 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 117.747 0.249 . . . . 1.84 111.264 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -60.7 -42.9 98.12 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.826 0.822 . . . . 1.84 110.352 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.21 -44.81 82.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 1.25 110.097 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.9 73.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.09 110.227 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttp -63.9 -49.01 74.37 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.482 -0.781 . . . . 1.44 110.048 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.78 81.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.05 -0.523 . . . . 1.39 110.707 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.21 -48.54 70.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.204 -0.453 . . . . 2.08 111.783 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.18 -0.65 46.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 1.19 110.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t30 61.03 30.35 19.5 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.749 -0.659 . . . . 2.04 109.457 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -65.03 126.44 28.06 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 115.109 -0.95 . . . . 1.77 111.244 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.0 tp -109.54 108.33 59.76 Favored Pre-proline 0 C--N 1.311 -1.073 0 C-N-CA 120.649 -0.42 . . . . 2.03 111.504 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -67.99 50.64 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.308 2.672 . . . . 0.92 113.156 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.489 ' HB2' ' OP1' ' D' ' 13' ' ' ' DC' . 1.4 t-20 54.76 -160.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.15 0.906 . . . . 1.55 113.102 178.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -145.13 -40.16 0.24 Allowed 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.175 -0.921 . . . . 3.53 110.374 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 7.1 t -125.22 -7.53 7.07 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.344 0.868 . . . . 1.65 113.344 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.57 98.46 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.486 0.55 . . . . 0.97 112.486 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -62.36 -19.75 63.69 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 123.19 0.596 . . . . 1.67 110.898 -178.236 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.78 -64.16 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.592 -0.892 . . . . 2.12 108.592 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.434 HD11 " O5'" ' C' ' 11' ' ' ' DG' . 8.4 tp -62.13 -5.51 2.33 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.18 0.437 . . . . 1.44 112.18 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.3 129.14 46.26 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.851 -1.156 . . . . 1.86 109.595 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.92 38.04 93.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.178 -0.534 . . . . 2.76 113.166 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -48.79 -59.75 3.3 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.361 0.683 . . . . 7.16 111.383 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 51.86 30.18 6.82 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.075 -0.966 . . . . 6.41 110.549 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.04 8.04 43.13 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.904 -0.589 . . . . 6.96 110.405 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 CA--C 1.515 -0.385 0 CA-C-N 115.468 -0.787 . . . . 8.8 109.857 179.455 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttm . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.034 0.445 . . . . 7.51 110.649 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -134.17 126.49 18.54 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.034 -0.53 . . . . 7.83 110.525 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -81.43 -171.47 1.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.819 2.346 . . . . 3.05 111.534 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 p -82.52 154.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.57 -0.287 . . . . 1.95 110.887 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.33 146.1 33.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.629 -0.878 . . . . 1.74 108.629 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.484 ' HG ' ' CE1' ' B' ' 47' ' ' TYR . 0.5 OUTLIER -62.2 -33.47 74.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.7 0.286 . . . . 1.27 110.789 -178.376 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -59.39 -33.47 71.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 115.769 -0.651 . . . . 1.15 110.846 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.32 -45.84 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.383 -0.372 . . . . 1.81 110.253 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.897 -0.592 . . . . 1.6 110.208 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.58 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.692 -0.686 . . . . 1.22 109.861 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -69.9 -38.61 76.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 2.73 112.381 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.88 -40.75 98.47 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.399 -0.593 . . . . 1.71 109.399 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.92 -19.15 60.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.85 -0.614 . . . . 1.21 111.064 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.75 75.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.447 -0.406 . . . . 1.53 113.125 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.18 -173.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.081 0.441 . . . . 1.79 111.284 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -80.98 20.52 0.78 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.028 1.121 . . . . 2.16 114.028 -177.455 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' B' ' 16' ' ' SER . 4.6 t80 70.97 -56.23 0.63 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.104 0.411 . . . . 2.19 111.911 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -50.95 -43.06 60.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.926 0.393 . . . . 3.17 111.538 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -25.58 68.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.02 1.118 . . . . 1.41 114.02 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.6 t -71.0 -66.63 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.555 0.576 . . . . 1.62 112.555 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -21.24 66.11 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.841 0.682 . . . . 1.86 112.841 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.496 ' HD3' ' HA ' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -26.86 64.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 118.177 0.444 . . . . 5.24 110.423 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.711 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 55.1 t -63.56 -39.74 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.76 0.314 . . . . 1.77 110.9 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -0.56 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.749 0.785 . . . . 1.97 110.999 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' B' ' 22' ' ' ARG . 20.3 t-20 -103.55 -63.89 1.14 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.544 -0.753 . . . . 3.75 111.445 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -167.4 54.53 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.82 0.343 . . . . 4.82 111.561 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -63.5 134.3 55.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.428 0.632 . . . . 2.56 111.874 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -124.44 -85.33 0.64 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.768 -1.105 . . . . 3.78 110.372 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -95.28 65.98 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.028 -0.533 . . . . 2.69 112.241 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.0 t -108.85 128.59 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.574 -0.899 . . . . 1.52 108.574 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.51 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 71.0 m -63.99 145.83 55.17 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.384 0.612 . . . . 1.85 110.932 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.461 ' HA ' ' HG2' ' B' ' 35' ' ' ARG . . . -57.32 -33.99 68.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.888 -1.051 . . . . 1.48 110.29 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -66.45 -38.33 87.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.673 -0.694 . . . . 3.68 111.142 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -73.27 -44.9 58.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.836 -0.62 . . . . 1.81 111.69 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.617 ' HA ' HG22 ' B' ' 38' ' ' VAL . 13.7 ptm180 -69.44 -28.74 66.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.334 0.588 . . . . 3.48 112.091 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.9 -50.48 70.54 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.652 -0.704 . . . . 1.96 110.623 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -68.4 -48.34 64.92 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.483 -0.78 . . . . 2.82 112.385 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' B' ' 35' ' ' ARG . 9.1 m -61.06 -33.53 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 112.31 0.485 . . . . 1.43 112.31 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.37 -43.49 90.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.558 -0.905 . . . . 2.27 108.558 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -58.89 -39.73 82.3 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.394 -0.821 . . . . 1.26 110.785 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.22 -41.61 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.37 0.508 . . . . 0.8 112.37 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.51 -41.43 96.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.514 -0.312 . . . . 1.52 110.833 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.47 -29.88 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 1.06 111.543 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.583 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 13.3 tp10 -70.06 -46.95 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.952 0.406 . . . . 2.19 111.928 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.08 -8.4 45.95 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.319 -0.552 . . . . 1.28 112.398 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 65.16 86.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 1.84 109.406 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.484 ' CE1' ' HG ' ' B' ' 6' ' ' LEU . 40.9 t80 -90.02 110.96 21.91 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.92 -0.582 . . . . 1.28 111.063 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -114.2 120.12 39.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 N-CA-C 109.685 -0.487 . . . . 1.39 109.685 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.64 103.65 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.231 1.287 . . . . 1.38 111.524 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -79.88 147.14 31.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.848 -0.614 . . . . 2.08 111.71 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -98.16 88.68 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 3.44 110.75 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 99.4 m -158.43 -69.84 0.09 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.66 -1.154 . . . . 1.9 109.509 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.29 7.57 13.56 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.094 -0.706 . . . . 1.21 109.094 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.88 -50.33 6.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.623 -0.673 . . . . 1.74 110.072 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -66.15 -43.09 88.0 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.729 0.776 . . . . 3.28 109.693 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.648 HD21 ' N2 ' ' D' ' 12' ' ' ' DG' . 30.0 tp -65.3 -37.75 88.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.146 -1.388 . . . . 1.67 112.551 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.38 63.46 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.037 0.211 . . . . 2.13 111.196 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.39 57.51 0.5 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.446 -0.661 . . . . 2.17 111.446 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -84.45 -173.83 4.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.539 -0.541 . . . . 6.14 109.539 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -76.33 -0.01 21.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.617 0.722 . . . . 6.69 110.583 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.505 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 9.0 m -149.94 137.71 20.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.423 -0.808 . . . . 6.61 109.309 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 118.55 -0.738 . . . . 8.78 110.111 179.628 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' -1' ' ' ' DC' . . . . . 0.973 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.084 0 C3'-C2'-C1' 99.494 -2.29 . . . . 5.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.406 ' C8 ' H2'' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 C3'-C2'-C1' 99.655 -2.175 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.819 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-C2' 103.946 -1.958 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.819 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.65 0 C3'-C2'-C1' 99.206 -2.496 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' DA' . . . . . 0.683 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.749 0 C3'-C2'-C1' 99.344 -2.397 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.55 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 O4'-C1'-C2' 104.183 -1.743 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.55 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.694 0 C3'-C2'-C1' 99.509 -2.279 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.482 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 C3'-C2'-C1' 99.653 -2.176 . . . . 1.32 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.482 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.992 0 C3'-C2'-C1' 99.544 -2.254 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.493 H2'' ' C6 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.454 0.682 0 O4'-C1'-C2' 103.719 -2.165 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.493 ' C6 ' H2'' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 103.955 -1.95 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.497 H2'' ' C5 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.626 1.581 0 C5'-C4'-C3' 117.862 2.108 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.497 ' C5 ' H2'' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.554 0 O4'-C1'-C2' 103.894 -2.005 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.458 " C2'" HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 C2'--C1' 1.502 -1.342 0 C3'-C2'-C1' 99.336 -2.403 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 100.184 -1.797 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 O4'-C1'-C2' 103.891 -2.008 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.616 0.777 0 C3'-C2'-C1' 99.535 -2.26 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.938 0 C3'-C2'-C1' 99.434 -2.333 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.6 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.225 -2.482 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.6 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.888 0 C3'-C2'-C1' 99.763 -2.098 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.498 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.003 0 C3'-C2'-C1' 99.598 -2.216 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.488 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.316 -2.417 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.488 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.512 -0.611 0 O4'-C1'-C2' 103.636 -2.24 . . . . 3.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' -1' ' ' ' DG' . . . . . 0.545 H2'' ' C8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 C4'-C3'-C2' 104.362 1.162 . . . . 4.17 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.545 ' C8 ' H2'' ' D' ' -1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 100.265 -1.739 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.507 ' C8 ' " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.769 0 O4'-C1'-C2' 105.151 -0.863 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.798 0 C3'-C2'-C1' 99.878 -2.016 . . . . 2.4 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.516 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 107.529 -1.55 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.516 " O5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C1'-N19 108.591 0.989 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ' DC' . . . . . 0.501 ' C5 ' H2'' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C3'-C2'-C1' 100.933 -1.262 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . 0.43 H2'' ' OP2' ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -1.022 0 C1'-O4'-C4' 107.908 -1.28 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.673 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 104.281 1.13 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.673 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 104.921 -1.072 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . 0.561 H2'' ' C5 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 C3'-C2'-C1' 101.013 -1.205 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.616 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C3'-C2'-C1' 104.74 1.457 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.815 H5'' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 O4'-C4'-C3' 104.339 -1.261 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.489 ' OP1' ' HB2' ' A' ' 50' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C1'-O4'-C4' 106.315 -2.418 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.736 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 104.109 -1.491 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.736 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 C3'-C2'-C1' 105.254 1.824 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.51 ' C8 ' " C2'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 105.745 2.175 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.521 H2'' ' C6 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C4'-C3'-C2' 102.03 -1.17 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 18' ' ' ' DT' . . . . . 0.536 H2'' ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.438 -0.728 0 C3'-C2'-C1' 105.482 1.987 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.59 H2'' ' C5 ' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 C1'-O4'-C4' 110.432 0.523 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ' DC' . . . . . 0.59 ' C5 ' H2'' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 111.152 1.037 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ' DC' . . . . . 0.421 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 N19-C1'-C2' 115.464 0.79 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' ' DG' . . . . . 0.973 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.781 0 C4'-C3'-C2' 104.739 1.539 . . . . 3.95 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.123 -0.325 . . . . 5.8 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 60.6 mmtt -56.44 130.69 76.26 Favored Pre-proline 0 N--CA 1.451 -0.41 0 O-C-N 123.598 0.561 . . . . 5.24 110.614 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 39.5 Cg_exo -62.97 88.92 0.12 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.775 2.317 . . . . 3.92 111.062 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 8' ' ' ASP . 17.9 m -81.54 150.97 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 115.304 -0.862 . . . . 1.84 111.264 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.628 HG21 " H3'" ' D' ' 12' ' ' ' DG' . 1.2 p -108.4 -170.72 1.72 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.694 -0.685 . . . . 2.09 112.051 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 21' ' ' SER . 0.2 OUTLIER -53.94 -19.87 5.27 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 113.046 0.758 . . . . 1.21 113.046 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -77.26 -32.3 55.53 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 118.187 0.449 . . . . 1.86 111.514 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -86.53 -52.48 5.54 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.615 0.228 . . . . 2.12 111.615 -178.021 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.11 -35.06 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.153 -0.476 . . . . 0.92 111.484 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.38 89.79 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.173 0.434 . . . . 1.02 112.173 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.6 -33.46 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.118 0.485 . . . . 2.45 110.922 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.424 ' CD2' HD11 ' A' ' 45' ' ' LEU . 21.0 t80 -64.99 -33.82 76.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.809 -0.632 . . . . 1.78 110.977 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.57 -25.12 21.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.407 -0.815 . . . . 1.11 110.697 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.61 16.11 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.736 -0.745 . . . . 1.17 113.585 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.56 -171.5 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 120.442 0.163 . . . . 1.08 110.708 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.7 p -86.12 170.46 12.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.763 -0.458 . . . . 1.92 109.763 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -74.72 -12.41 60.41 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.921 -0.312 . . . . 0.97 110.739 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -82.81 -34.52 26.92 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.529 -0.468 . . . . 2.23 109.817 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -48.78 80.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 1.21 111.686 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' VAL . 3.9 p -66.68 -36.06 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.545 0.572 . . . . 1.59 112.545 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.604 ' HB3' HD23 ' A' ' 6' ' ' LEU . 86.8 p -82.14 -14.96 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.647 -0.658 . . . . 1.6 110.792 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 15.2 tpt180 -73.9 -27.38 61.02 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 112.197 0.443 . . . . 4.27 112.197 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 20' ' ' VAL . 27.1 m -65.37 -42.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.569 0.7 . . . . 1.76 110.761 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -79.59 -15.5 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.826 -0.624 . . . . 1.87 112.004 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -85.09 -52.46 5.94 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.031 0.832 . . . . 1.67 110.253 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -160.22 -32.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.792 -0.567 . . . . 3.34 111.208 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 65.54 36.63 6.47 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.658 0.783 . . . . 1.9 111.929 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -42.83 63.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.766 -0.652 . . . . 2.14 111.642 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -141.92 75.94 1.52 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.536 0.207 . . . . 3.89 111.436 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG21 HG12 ' A' ' 23' ' ' VAL . 3.1 t -102.65 35.74 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.729 -0.471 . . . . 1.55 109.729 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' OP1' ' C' ' 4' ' ' ' DA' . 57.1 m 65.19 -23.67 0.09 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.684 0.994 . . . . 1.78 113.684 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.72 -19.63 0.3 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.629 0.772 . . . . 1.53 110.775 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 31' ' ' SER . 32.1 mttt -85.07 -36.17 21.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.677 0.791 . . . . 4.2 112.524 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.49 3.45 21.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.157 0.504 . . . . 1.48 111.079 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -43.84 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.898 0.703 . . . . 3.46 112.898 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -26.36 33.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.55 0.691 . . . . 2.64 111.448 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.586 -0.734 . . . . 3.54 111.189 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' HB ' HG23 ' A' ' 20' ' ' VAL . 35.4 m -71.81 -25.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 117.978 0.354 . . . . 1.84 110.881 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.31 -38.51 60.26 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.441 0.162 . . . . 1.84 110.721 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -65.11 -38.37 90.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.517 -0.311 . . . . 1.25 110.833 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.45 19.04 4.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.179 0.437 . . . . 1.09 112.179 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 38.1 ttm -85.56 -60.3 2.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.302 0.572 . . . . 1.44 110.356 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -18.31 44.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.513 -0.767 . . . . 1.39 110.256 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -74.24 -45.11 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.505 0.669 . . . . 2.08 111.295 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 12' ' ' TYR . 79.9 mt -91.0 -0.09 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.02 -0.536 . . . . 1.19 111.038 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 64.99 83.29 0.17 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.842 0.714 . . . . 2.04 109.388 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 12.9 t80 -123.01 121.67 36.64 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.073 -0.512 . . . . 1.77 110.726 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.454 ' C ' ' H ' ' A' ' 50' ' ' ASN . 32.4 mt -119.51 110.74 36.97 Favored Pre-proline 0 C--O 1.223 -0.298 0 O-C-N 123.711 0.632 . . . . 2.03 109.358 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.71 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 36.2 Cg_exo -63.99 18.09 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 123.883 3.055 . . . . 0.92 114.668 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 48' ' ' ILE . 13.0 m120 60.09 165.06 0.06 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 122.093 0.949 . . . . 1.55 112.358 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -115.85 -15.33 11.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.594 -1.185 . . . . 3.53 109.441 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -136.8 110.75 8.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.52 -1.673 . . . . 1.65 109.817 179.372 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' B' ' 56' ' ' LEU . . . 174.49 -44.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.004 -0.998 . . . . 0.97 110.664 -175.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -67.29 -29.35 68.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.791 0.682 . . . . 1.67 110.885 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.97 14.11 0.57 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.618 -0.676 . . . . 2.12 111.895 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.536 HD22 HD23 ' B' ' 56' ' ' LEU . 8.9 tp -110.25 -16.59 13.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.964 -0.562 . . . . 1.44 110.16 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HB2' ' H21' ' C' ' 9' ' ' ' DG' . . . -120.55 -11.38 9.09 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 121.8 0.809 . . . . 1.86 111.711 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.05 79.87 0.29 Allowed Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.592 -1.003 . . . . 2.76 110.592 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -93.04 136.37 33.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.171 0.51 . . . . 7.16 110.71 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -95.75 65.58 2.6 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.149 -0.932 . . . . 6.41 111.343 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.33 97.48 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.457 -0.338 . . . . 6.96 111.085 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.453 -0.339 . . . . 8.8 110.399 179.746 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 110.334 -0.247 . . . . 7.51 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -99.58 111.05 60.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.99 0.424 . . . . 7.83 110.2 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.21 -178.8 4.47 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.902 2.401 . . . . 3.05 112.819 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p -78.56 165.03 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.218 -0.66 . . . . 1.95 109.218 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.405 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 37.0 p -145.69 160.34 41.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.916 -0.772 . . . . 1.74 108.916 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.97 -22.03 65.94 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.372 0.606 . . . . 1.27 110.934 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.51 -30.72 64.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.267 -0.878 . . . . 1.15 109.729 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.97 -27.14 60.84 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 122.139 0.971 . . . . 1.81 110.372 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.1 t -70.3 -41.36 78.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.552 -1.203 . . . . 1.6 110.482 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.13 65.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.677 0.751 . . . . 1.22 109.887 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -72.81 -44.15 61.83 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.572 -1.195 . . . . 2.73 110.544 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -67.84 -43.93 78.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 1.71 110.275 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.12 -21.33 59.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 113.87 1.063 . . . . 1.21 113.87 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.5 39.73 55.85 Favored Glycine 0 C--O 1.222 -0.605 0 N-CA-C 110.393 -1.083 . . . . 1.53 110.393 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -128.72 -173.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.371 . . . . 1.79 110.385 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -93.21 162.63 13.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 2.16 110.236 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.69 -22.21 61.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.85 -0.614 . . . . 2.19 110.732 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.595 ' HG3' ' N ' ' B' ' 19' ' ' THR . 0.2 OUTLIER -80.51 -30.57 37.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 3.17 110.446 -178.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.595 ' N ' ' HG3' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -70.23 -37.24 74.96 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.111 -0.949 . . . . 1.41 110.743 -177.516 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.42 ' O ' HG23 ' B' ' 24' ' ' VAL . 29.5 m -77.05 -28.0 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.996 0.81 . . . . 1.62 111.494 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -84.43 -48.64 9.44 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.719 0.771 . . . . 1.86 110.688 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' B' ' 26' ' ' GLN . 3.3 tpp180 -55.43 -39.31 70.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.616 -1.175 . . . . 5.24 113.28 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.93 -20.69 23.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.334 0.494 . . . . 1.77 112.334 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 20' ' ' VAL . 54.7 t -67.52 -74.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 120.966 0.413 . . . . 1.97 110.424 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -155.33 67.0 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 3.75 111.287 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.521 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 65.4 mt-30 -139.39 -66.42 0.46 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.311 -0.404 . . . . 4.82 111.449 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.17 161.49 32.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 2.56 112.054 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -115.83 -5.66 12.07 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.667 -0.697 . . . . 3.78 111.126 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.34 41.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 2.69 110.622 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -107.89 136.74 42.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.194 -0.457 . . . . 1.52 110.686 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.29 125.52 16.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 123.788 0.68 . . . . 1.85 112.296 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.76 96.92 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.088 -0.506 . . . . 1.48 111.404 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -58.42 -38.7 77.96 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.34 0.59 . . . . 3.68 111.667 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.1 -21.23 24.8 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.806 0.669 . . . . 1.81 112.806 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.432 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -73.95 -30.77 62.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.639 0.607 . . . . 3.48 112.639 -178.584 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.31 -31.0 72.03 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.644 0.735 . . . . 1.96 111.65 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -74.68 -27.84 60.58 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.276 -0.875 . . . . 2.82 111.56 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.44 -40.67 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 109.909 -0.404 . . . . 1.43 109.909 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 23.6 mt-10 -63.11 -45.31 92.65 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.363 -0.606 . . . . 2.27 109.363 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.81 79.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.999 -1.0 . . . . 1.26 111.311 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.02 96.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.264 -0.273 . . . . 0.8 110.264 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 79.5 mtm -63.91 -36.67 84.69 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.692 -0.685 . . . . 1.52 111.044 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.95 -37.02 24.68 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.318 0.386 . . . . 1.06 111.156 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.09 -45.35 81.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 2.19 110.334 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.38 -6.99 59.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.17 0.509 . . . . 1.28 110.028 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.84 50.19 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.754 -1.112 . . . . 1.84 110.585 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -63.48 120.47 11.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.159 -0.928 . . . . 1.28 111.369 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mt -126.72 127.95 24.37 Favored Pre-proline 0 C--N 1.317 -0.806 0 N-CA-C 107.816 -1.179 . . . . 1.39 107.816 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -43.98 95.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.475 2.117 . . . . 1.38 111.713 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -77.88 156.64 30.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.43 -0.804 . . . . 2.08 111.479 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.683 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 1.1 mpt_? -93.91 171.5 8.82 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.4 -0.593 . . . . 3.44 109.4 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.502 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 69.8 m 62.56 46.14 5.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.047 -0.524 . . . . 1.9 109.799 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 176.95 -25.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 114.682 -1.145 . . . . 1.21 109.731 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -90.3 -42.16 11.13 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 114.89 -1.05 . . . . 1.74 108.776 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.427 HE22 ' HG3' ' B' ' 51' ' ' ARG . 22.4 mp0 -71.94 -47.79 49.88 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 121.903 0.859 . . . . 3.28 110.206 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.536 HD23 HD22 ' A' ' 56' ' ' LEU . 1.1 tp -57.65 -31.85 66.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.477 -1.238 . . . . 1.67 111.705 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.77 -11.48 31.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.163 -0.335 . . . . 2.13 111.869 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.78 -26.48 8.49 Favored Glycine 0 CA--C 1.503 -0.656 0 C-N-CA 120.602 -0.808 . . . . 2.17 111.332 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' B' ' 59' ' ' LYS . 1.1 ttpp -91.74 55.04 2.6 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.135 -0.533 . . . . 6.14 111.552 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -70.85 -12.28 61.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.718 -0.674 . . . . 6.69 110.422 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.63 158.48 16.47 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.325 -0.991 . . . . 6.61 108.325 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.256 1.417 0 CA-C-O 118.955 -0.545 . . . . 8.78 110.843 -179.208 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' -1' ' ' ' DC' . . . . . 0.957 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.512 -0.62 0 C3'-C2'-C1' 99.218 -2.487 . . . . 5.31 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.487 ' C8 ' H2'' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 C3'-C2'-C1' 99.469 -2.308 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.697 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 103.6 -2.272 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.697 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.896 0 O4'-C1'-C2' 104.02 -1.891 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ' DA' . . . . . 0.613 ' OP1' ' HA ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 C3'-C2'-C1' 99.308 -2.423 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.894 0 C3'-C2'-C1' 99.526 -2.267 . . . . 1.35 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.536 H2'' ' C8 ' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.558 0 C3'-C2'-C1' 99.746 -2.11 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.536 ' C8 ' H2'' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 99.519 -2.272 . . . . 1.32 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 O4'-C1'-C2' 103.783 -2.106 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.58 ' H21' ' HB2' ' A' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.455 0.82 0 C3'-C2'-C1' 99.381 -2.371 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.294 0 O4'-C1'-C2' 103.913 -1.988 . . . . 1.33 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.756 H2'' ' C5 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.624 1.426 0 O4'-C1'-C2' 103.797 -2.093 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.756 ' C5 ' H2'' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 P--OP1 1.474 -0.67 0 O4'-C1'-C2' 103.731 -2.154 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.456 ' N6 ' ' N4 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.216 0 C3'-C2'-C1' 99.039 -2.615 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.601 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.975 0 C3'-C2'-C1' 99.651 -2.178 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . 0.601 ' C5 ' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.765 -2.096 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.624 1.383 0 C3'-C2'-C1' 99.788 -2.08 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 C3'-C2'-C1' 99.461 -2.313 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.5 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.425 -2.339 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.556 ' C8 ' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C3'-C2'-C1' 99.394 -2.362 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.556 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C3'-C2'-C1' 99.581 -2.228 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.547 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.224 0 C3'-C2'-C1' 99.328 -2.408 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.547 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-C1' 99.638 -2.187 . . . . 3.45 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' -1' ' ' ' DG' . . . . . 0.453 H2'' ' C8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 100.843 -1.327 . . . . 4.17 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.453 ' C8 ' H2'' ' D' ' -1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-C1' 100.355 -1.675 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.42 ' C8 ' ' H72' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 O4'-C1'-N19 108.376 0.719 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.42 ' H72' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.236 -2.474 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.406 ' C2 ' ' O2 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.523 0.543 0 C3'-C2'-C1' 105.367 1.905 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.435 H2'' ' C5 ' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 C5'-C4'-O4' 108.262 -0.711 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ' DC' . . . . . 0.435 ' C5 ' H2'' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.512 -0.657 0 C3'-C2'-C1' 100.057 -1.888 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . 0.792 " H4'" " O5'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -0.988 0 C4'-C3'-C2' 104.841 1.641 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.792 " O5'" " H4'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.532 0.758 0 O4'-C4'-C3' 103.896 -1.704 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.675 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 100.88 -1.3 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.044 0 C3'-C2'-C1' 100.459 -1.6 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.995 H2'' " O5'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.44 0.681 0 C3'-C2'-C1' 105.305 1.861 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.995 " O5'" H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 105.007 1.807 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.71 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 P--O3' 1.591 -1.311 0 O4'-C4'-C3' 103.702 -1.898 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.7 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.135 0 C4'-C3'-C2' 101.422 -1.778 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.7 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 C3'-C2'-C1' 104.354 1.182 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.66 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C3'-C2'-C1' 105.773 2.195 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.554 " O5'" H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.513 -0.478 0 C4'-C3'-C2' 102.546 -0.654 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 18' ' ' ' DT' . . . . . 0.584 H2'' ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.41 -0.764 0 C3'-C2'-C1' 105.165 1.761 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.623 H2'' " O4'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C1'-O4'-C4' 110.638 0.67 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ' DC' . . . . . 0.663 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 C4'-C3'-C2' 104.098 0.898 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ' DC' . . . . . 0.663 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.047 0 C3'-C2'-C1' 100.324 -1.697 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' ' DG' . . . . . 0.957 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 O4'-C1'-C2' 107.275 1.068 . . . . 3.95 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HG2' ' A' ' 2' ' ' LYS . 2.6 ttm . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.97 0.415 . . . . 5.8 110.229 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 50.7 mmtt -97.62 141.5 23.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.203 -0.453 . . . . 5.24 110.422 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -75.91 46.81 1.8 Allowed 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.285 1.99 . . . . 3.92 113.189 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p -94.32 109.28 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 O-C-N 122.142 -0.349 . . . . 1.84 110.953 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.618 HG21 " H3'" ' D' ' 12' ' ' ' DG' . 11.8 p -126.5 -169.53 2.04 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.528 -0.306 . . . . 2.09 110.934 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.531 ' HG ' ' OP2' ' D' ' 13' ' ' ' DC' . 0.3 OUTLIER -53.91 -16.65 1.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.096 -0.502 . . . . 1.21 111.899 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -80.99 -32.4 34.32 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.892 0.377 . . . . 1.86 111.008 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.5 -44.79 20.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 2.12 110.252 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.457 ' HB ' HG21 ' A' ' 20' ' ' VAL . 4.4 t -64.56 -26.83 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.979 -0.555 . . . . 0.92 111.003 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -60.67 -57.36 13.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.075 0.465 . . . . 1.02 110.65 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -45.54 91.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.47 -0.786 . . . . 2.45 110.251 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -60.34 -22.7 63.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.831 -0.622 . . . . 1.78 111.593 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.11 -10.09 18.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.495 . . . . 1.11 112.267 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.45 30.08 50.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.092 -0.575 . . . . 1.17 112.425 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.02 -174.53 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.975 -0.38 . . . . 1.08 109.975 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 p -86.67 168.58 13.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.137 -0.69 . . . . 1.92 109.137 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.476 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 50.1 p90 -66.06 -18.29 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.185 -0.206 . . . . 0.97 111.218 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 42.8 tp60 -68.96 -29.57 67.83 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.481 0.181 . . . . 2.23 110.938 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -68.08 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.869 0.366 . . . . 1.21 110.092 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' HA ' HG11 ' A' ' 38' ' ' VAL . 39.0 t -67.75 -37.25 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.833 -0.621 . . . . 1.59 110.629 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.5 t -81.26 -20.99 39.74 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.19 0.519 . . . . 1.6 110.742 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 3.6 ttp180 -64.26 -31.58 72.84 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 4.27 112.432 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -87.46 -4.87 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.988 -0.685 . . . . 1.76 112.557 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.4 t -84.22 -53.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.26 0.553 . . . . 1.87 110.991 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -94.68 -65.64 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.535 -0.757 . . . . 1.67 112.24 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -62.69 -59.53 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.367 0.506 . . . . 3.34 112.367 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.03 31.1 21.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.757 -0.656 . . . . 1.9 110.626 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -91.68 -155.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.959 -0.564 . . . . 2.14 111.724 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -66.64 99.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 3.89 112.25 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 32' ' ' ALA . 24.1 t -106.76 69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.476 -0.784 . . . . 1.55 109.786 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m 67.69 -18.96 0.14 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.916 -1.038 . . . . 1.78 112.507 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 70.84 2.16 4.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.036 0.534 . . . . 1.53 110.632 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -119.87 -45.9 2.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.76 0.79 . . . . 4.2 109.653 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.85 0.17 57.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.577 -1.192 . . . . 1.48 111.043 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 35' ' ' ARG . 39.8 ttt-85 -69.35 -55.93 8.96 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.888 -0.596 . . . . 3.46 109.599 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.94 -30.89 69.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.64 110.198 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.76 -51.35 67.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.925 -0.58 . . . . 3.54 110.475 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG11 ' HA ' ' A' ' 20' ' ' VAL . 62.0 t -66.38 -45.05 90.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.692 0.282 . . . . 1.84 111.123 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -55.38 -35.9 65.79 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.431 -0.35 . . . . 1.84 111.447 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.29 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.149 -0.344 . . . . 1.25 111.662 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.39 83.76 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 111.6 0.222 . . . . 1.09 111.6 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.7 ptm -62.58 -34.79 77.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.173 -0.611 . . . . 1.44 111.175 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.37 41.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.992 0.425 . . . . 1.39 110.538 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.1 -38.32 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 2.08 111.416 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -86.56 6.46 30.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.411 -0.359 . . . . 1.19 111.188 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 t30 61.54 25.48 15.4 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.1 0.476 . . . . 2.04 110.712 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 16.7 t80 -65.98 144.08 56.98 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.826 -0.625 . . . . 1.77 111.41 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 2.6 tp -134.9 108.03 10.63 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 115.4 -0.818 . . . . 2.03 109.211 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.56 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 23.4 Cg_exo -66.98 30.73 0.12 Allowed 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.885 3.056 . . . . 0.92 114.618 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 57.93 -173.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.796 0.665 . . . . 1.55 112.796 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -137.31 -42.97 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.058 -0.519 . . . . 3.53 111.808 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -96.31 -19.36 19.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.602 -0.272 . . . . 1.65 111.537 -179.05 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -25.98 67.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.308 0.575 . . . . 0.97 110.438 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.85 -17.55 64.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.59 -0.732 . . . . 1.67 110.845 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -79.34 -68.04 0.7 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.122 -0.49 . . . . 2.12 110.467 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.9 tp -58.35 -7.11 0.79 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.121 1.156 . . . . 1.44 114.121 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.07 4.53 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.578 0.584 . . . . 1.86 112.578 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.52 158.54 15.73 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 120.516 -0.849 . . . . 2.76 111.529 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 tttt 63.91 -139.49 0.31 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.665 -0.495 . . . . 7.16 109.665 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 37.8 tt0 64.38 -74.15 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.084 0.469 . . . . 6.41 111.176 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.579 ' HB3' ' N ' ' B' ' 1' ' ' MET . 0.7 OUTLIER -75.65 -14.09 60.35 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.494 -0.321 . . . . 6.96 111.525 -179.716 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.497 0 CA-C-N 116.132 -0.486 . . . . 8.8 109.743 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.579 ' N ' ' HB3' ' A' ' 61' ' ' SER . 76.9 mtp . . . . . 0 CA--C 1.515 -0.378 0 N-CA-C 109.973 -0.38 . . . . 7.51 109.973 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.589 ' H ' ' HD2' ' B' ' 3' ' ' PRO . 32.8 ttmt -150.82 -52.32 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.646 0 C-N-CA 120.757 -0.377 . . . . 7.83 111.923 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.589 ' HD2' ' H ' ' B' ' 2' ' ' LYS . 57.9 Cg_endo -86.86 -167.76 0.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 121.143 1.229 . . . . 3.05 113.041 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p -71.04 150.15 9.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 108.497 -0.927 . . . . 1.95 108.497 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -143.76 171.58 14.01 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.743 0.306 . . . . 1.74 110.483 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.496 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -69.12 -14.81 63.21 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.153 -0.476 . . . . 1.27 111.21 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.18 -23.96 54.73 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.037 -0.727 . . . . 1.15 109.037 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.81 -48.88 62.49 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.591 -0.731 . . . . 1.81 111.101 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.51 -31.48 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 1.6 111.67 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.459 ' HA ' ' HB ' ' B' ' 15' ' ' VAL . . . -70.83 -36.43 72.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.168 0.433 . . . . 1.22 112.168 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -82.68 -38.02 23.98 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.88 0.372 . . . . 2.73 111.134 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.33 -53.48 57.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.491 0.923 . . . . 1.71 113.491 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.04 -8.34 22.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.205 0.817 . . . . 1.21 113.205 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.91 48.33 5.83 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 119.48 -1.343 . . . . 1.53 111.138 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' B' ' 10' ' ' ALA . 40.4 t -93.95 145.69 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.076 0.465 . . . . 1.79 111.015 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.54 15.03 1.4 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.381 -0.827 . . . . 2.16 113.079 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 8.0 t80 58.3 17.39 4.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.316 0.646 . . . . 2.19 111.968 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.482 ' HB2' ' H41' ' C' ' 15' ' ' ' DC' . 0.0 OUTLIER -127.0 -32.74 2.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.559 0.695 . . . . 3.17 109.22 -179.545 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.577 HG22 HG13 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -83.8 -8.67 59.17 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 113.186 0.81 . . . . 1.41 113.186 -178.451 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.414 HG13 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -84.16 -59.21 2.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 O-C-N 122.124 -0.36 . . . . 1.62 110.802 -179.681 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -53.89 -28.23 35.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 1.86 112.029 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.435 HH12 " H3'" ' C' ' 14' ' ' ' DA' . 0.0 OUTLIER -65.52 -41.53 93.01 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.935 -0.575 . . . . 5.24 110.436 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.401 HG21 HG21 ' B' ' 38' ' ' VAL . 87.8 t -67.94 -28.04 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.494 0.664 . . . . 1.77 109.85 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -79.89 -42.75 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.199 -0.91 . . . . 1.97 111.075 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -95.86 -76.67 0.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.994 0.368 . . . . 3.75 111.994 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -153.22 100.74 2.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.384 0.612 . . . . 4.82 111.388 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.89 146.72 54.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.2 -0.909 . . . . 2.56 110.541 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -142.07 -80.42 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.475 -0.329 . . . . 3.78 110.267 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 57.5 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.282 0.563 . . . . 2.69 111.064 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.577 HG13 HG22 ' B' ' 19' ' ' THR . 11.9 t -103.05 113.99 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.855 -1.066 . . . . 1.52 110.189 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.506 ' HB3' ' OG1' ' B' ' 34' ' ' THR . 24.4 t -60.1 149.09 33.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.518 0.675 . . . . 1.85 110.917 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' CD ' ' B' ' 35' ' ' ARG . . . -62.19 -24.08 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.626 -0.715 . . . . 1.48 111.559 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.62 -22.9 32.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.188 0.518 . . . . 3.68 110.323 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' B' ' 31' ' ' SER . 0.2 OUTLIER -90.86 -32.13 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 1.81 112.004 -178.515 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 17.2 ptp180 -66.79 -14.54 62.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 3.48 112.088 -177.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.71 -40.64 12.4 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.698 0.285 . . . . 1.96 110.876 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -63.85 -41.07 97.88 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.886 0.374 . . . . 2.82 110.675 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.401 HG21 HG21 ' B' ' 23' ' ' VAL . 18.4 m -64.73 -33.81 65.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.377 -0.829 . . . . 1.43 110.496 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 4.3 mt-10 -73.5 -44.22 58.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.839 -0.43 . . . . 2.27 109.839 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.57 74.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 1.26 110.95 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.88 88.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.246 0.546 . . . . 0.8 110.823 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.1 mtm -73.73 -36.16 65.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.823 -0.626 . . . . 1.52 111.367 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.89 -41.89 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 1.06 111.572 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.56 -48.36 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 2.19 110.984 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.19 -1.67 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 1.28 111.928 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 62.9 t30 52.35 58.36 5.49 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.367 0.603 . . . . 1.84 111.598 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -64.31 119.21 9.88 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.118 -0.633 . . . . 1.28 110.814 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.4 mm -105.51 123.22 40.16 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.595 -0.729 . . . . 1.39 109.041 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.68 99.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.758 2.305 . . . . 1.38 112.983 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.46 103.34 13.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 2.08 111.492 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.506 ' HG3' ' OE1' ' B' ' 54' ' ' GLN . 2.5 mpp_? -85.99 100.0 11.83 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.443 1.116 . . . . 3.44 110.379 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 35.7 t -176.3 -69.34 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 113.458 -1.701 . . . . 1.9 107.429 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.93 13.09 1.13 Allowed 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 121.227 0.537 . . . . 1.21 110.886 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.506 ' OE1' ' HG3' ' B' ' 51' ' ' ARG . 3.5 mt-30 -88.83 -46.38 9.0 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 108.48 -0.933 . . . . 1.74 108.48 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' B' ' 56' ' ' LEU . 4.8 pt20 -85.88 -34.25 21.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.934 -1.136 . . . . 3.28 107.934 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 40.5 tp -83.19 53.48 2.48 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.83 -1.077 . . . . 1.67 109.137 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.81 0.69 1.11 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.891 -0.595 . . . . 2.13 111.839 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.71 -34.31 0.58 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 118.924 -1.608 . . . . 2.17 113.827 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -135.38 113.97 11.73 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.787 -0.365 . . . . 6.14 111.86 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.1 145.09 54.28 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.327 -0.397 . . . . 6.69 111.46 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 13.5 m -117.72 38.32 3.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.691 0.757 . . . . 6.61 109.918 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.243 0.763 0 CA-C-N 115.052 -0.976 . . . . 8.78 109.895 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' -1' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.081 0 C3'-C2'-C1' 99.401 -2.356 . . . . 5.31 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.563 ' C8 ' H2'' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.194 0 C3'-C2'-C1' 99.301 -2.428 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.553 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 103.826 -2.067 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.603 " H1'" ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 99.794 -2.076 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ' DA' . . . . . 0.603 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 O4'-C1'-C2' 103.756 -2.131 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.415 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-C2' 103.692 -2.189 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 103.88 -2.018 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.139 0 C3'-C2'-C1' 98.718 -2.844 . . . . 1.32 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.438 -2.33 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.292 -2.434 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.474 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 O4'-C1'-C2' 103.907 -1.994 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.474 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.969 0 O4'-C1'-C2' 103.793 -2.097 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 99.416 -2.346 . . . . 0.98 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.222 0 C3'-C2'-C1' 98.913 -2.705 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.435 " H3'" HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 C2'--C1' 1.508 -0.948 0 C3'-C2'-C1' 99.696 -2.145 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . 0.482 ' H41' ' HB2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C1'-C2' 104.1 -1.818 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C3'-C2'-C1' 99.821 -2.057 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C3'-C2'-C1' 100.066 -1.881 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.501 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 99.046 -2.61 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.501 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.454 0.75 0 O4'-C1'-C2' 103.618 -2.256 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.44 H2'' ' C7 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 99.61 -2.207 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.512 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.033 0 C3'-C2'-C1' 99.278 -2.444 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.512 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.002 0 C3'-C2'-C1' 99.74 -2.114 . . . . 3.45 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C5'-C4'-C3' 116.327 1.085 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.649 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 100.092 -1.863 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.649 ' C8 ' H2'' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 105.309 -0.719 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.501 " H1'" ' C6 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C3'-C2'-C1' 98.832 -2.763 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.501 ' C6 ' " H1'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-C2' 104.536 -1.421 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C5'-C4'-C3' 115.929 0.819 . . . . 1.81 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ' DC' . . . . . 0.7 H2'' " O5'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.527 0.923 0 C3'-C2'-C1' 105.131 1.736 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . 0.7 " O5'" H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 P--O3' 1.62 1.075 0 C3'-C2'-C1' 101.076 -1.16 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.697 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.52 -0.813 0 C1'-O4'-C4' 107.021 -1.914 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.697 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 101.458 -0.887 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.878 0 O4'-C1'-C2' 104.588 -1.374 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.492 H2'' " O4'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.532 0.763 0 C3'-C2'-C1' 105.323 1.874 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.618 " H3'" HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 O4'--C1' 1.407 -0.985 0 C3'-C2'-C1' 105.451 1.965 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.56 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 P--O3' 1.595 -0.996 0 C3'-C2'-C1' 104.887 1.562 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.695 " H2'" ' C5 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 105.834 2.239 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.695 ' C5 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 110.766 0.761 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.411 -0.716 0 N19-C1'-C2' 115.877 1.048 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.618 H2'' ' C5 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 101.794 -0.647 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 18' ' ' ' DT' . . . . . 0.618 ' C5 ' H2'' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 C3'-C2'-C1' 105.75 2.178 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.462 " H2'" ' C5 ' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.819 0 C4'-C3'-C2' 105.092 1.892 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ' DC' . . . . . 0.462 ' C5 ' " H2'" ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.23 0 C3'-C2'-C1' 101.213 -1.062 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ' DC' . . . . . 0.53 H2'' ' C8 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 C3'-C2'-C1' 100.173 -1.805 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 101.496 -0.86 . . . . 3.95 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.726 -0.472 . . . . 5.8 109.726 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -104.46 112.84 65.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 111.826 0.306 . . . . 5.24 111.826 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.97 89.52 0.77 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.455 2.103 . . . . 3.92 111.281 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 8' ' ' ASP . 2.5 p -71.21 105.38 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.774 -0.648 . . . . 1.84 111.531 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.551 HG21 " H3'" ' D' ' 12' ' ' ' DG' . 2.2 p -111.03 -171.34 1.81 Allowed 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.078 -0.51 . . . . 2.09 109.658 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.671 HD13 ' HB2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -58.66 -22.78 57.77 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.722 0.296 . . . . 1.21 111.753 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -71.1 -28.39 64.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 1.86 110.726 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.479 ' HB3' HG23 ' A' ' 4' ' ' VAL . 30.4 t0 -87.94 -46.23 9.56 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.317 -0.401 . . . . 2.12 110.094 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' THR . 37.1 t -59.92 -26.96 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.825 -0.625 . . . . 0.92 110.071 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.83 75.93 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.936 -0.575 . . . . 1.02 110.49 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.68 -51.74 66.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.859 0.361 . . . . 2.45 110.429 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -56.05 -31.44 63.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.566 -0.743 . . . . 1.78 110.637 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.4 -18.74 29.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.897 -0.592 . . . . 1.11 112.1 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.63 21.54 61.7 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 120.603 -0.808 . . . . 1.17 112.479 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.75 -171.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 117.344 0.572 . . . . 1.08 110.085 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -89.66 169.74 11.06 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.295 0.569 . . . . 1.92 110.513 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.671 ' HB2' HD13 ' A' ' 6' ' ' LEU . 4.5 p90 -66.42 -18.28 65.27 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.911 -0.586 . . . . 0.97 112.571 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HG2' ' N7 ' ' C' ' 5' ' ' ' DG' . 40.2 tp60 -67.99 -34.96 77.51 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.902 -0.407 . . . . 2.23 109.902 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.54 83.93 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.086 -0.506 . . . . 1.21 110.231 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HA ' HG11 ' A' ' 38' ' ' VAL . 13.0 t -67.58 -43.67 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.768 0.318 . . . . 1.59 110.157 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 m -60.9 -31.65 71.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.589 0.709 . . . . 1.6 111.005 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -72.13 -34.23 68.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.432 0.901 . . . . 4.27 113.432 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.485 HG11 ' HB ' ' A' ' 38' ' ' VAL . 33.2 m -78.51 -12.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 118.345 0.521 . . . . 1.76 111.217 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.57 -50.0 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.586 0.708 . . . . 1.87 109.538 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -90.91 -64.4 1.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.147 -0.933 . . . . 1.67 111.87 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.95 -73.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.185 0.439 . . . . 3.34 112.185 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 57.1 27.28 13.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.068 -0.514 . . . . 1.9 111.873 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.16 -82.64 0.62 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.182 0.515 . . . . 2.14 111.542 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -85.44 90.4 7.94 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.723 -0.671 . . . . 3.89 111.479 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.0 t -134.17 79.82 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.672 0.272 . . . . 1.55 110.484 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.437 ' HB2' ' OP1' ' C' ' 4' ' ' ' DA' . 21.6 t 60.07 -2.64 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.525 -0.762 . . . . 1.78 112.415 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 59.03 23.0 11.11 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.552 0.692 . . . . 1.53 110.613 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.84 -57.11 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.97 -1.013 . . . . 4.2 110.421 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.74 31.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 1.48 112.068 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.513 HH21 ' HG2' ' A' ' 36' ' ' GLU . 13.3 ttp85 -82.67 -45.76 14.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.887 0.851 . . . . 3.46 109.164 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG2' HH21 ' A' ' 35' ' ' ARG . 84.7 mt-10 -80.94 -19.6 43.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.801 -1.091 . . . . 2.64 111.581 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.01 -65.42 0.62 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.812 0.339 . . . . 3.54 110.166 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' HB ' HG11 ' A' ' 23' ' ' VAL . 2.1 t -62.4 -36.63 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.954 -0.566 . . . . 1.84 111.456 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.95 -32.24 71.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.063 -0.255 . . . . 1.84 111.336 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.07 -26.77 25.13 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 109.463 -0.569 . . . . 1.25 109.463 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.06 67.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.033 -0.53 . . . . 1.09 110.496 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.0 ptm -60.81 -34.74 74.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.109 -0.496 . . . . 1.44 109.786 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.92 -36.53 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.675 -0.693 . . . . 1.39 110.889 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -44.19 89.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.215 -0.902 . . . . 2.08 111.826 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -95.68 4.06 53.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.863 -0.608 . . . . 1.19 112.004 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.6 t30 57.34 48.21 15.29 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.265 1.031 . . . . 2.04 110.387 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 13.2 t80 -72.0 125.3 26.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.504 -1.225 . . . . 1.77 111.692 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.463 HG13 ' H ' ' A' ' 50' ' ' ASN . 5.4 tp -110.35 105.04 56.85 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.008 -0.996 . . . . 2.03 109.455 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.764 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 23.2 Cg_exo -67.38 15.25 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.043 3.162 . . . . 0.92 114.527 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' H ' HG13 ' A' ' 48' ' ' ILE . 60.9 m-80 59.92 -171.97 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.981 0.42 . . . . 1.55 111.44 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 11.0 ptt85 -135.31 -34.77 0.85 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.652 -0.419 . . . . 3.53 110.712 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 84.6 m -89.43 -22.33 22.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.394 0.516 . . . . 1.65 112.394 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.12 89.55 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.261 0.35 . . . . 0.97 110.863 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.91 -35.25 80.12 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.033 -0.531 . . . . 1.67 111.19 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.8 mt-30 -71.96 -69.55 0.38 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.211 0.448 . . . . 2.12 112.211 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 tp -53.43 -17.37 1.91 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.998 1.481 . . . . 1.44 114.998 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.67 -57.93 7.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.091 -0.643 . . . . 1.86 110.659 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.94 43.38 1.72 Allowed Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 119.62 -1.276 . . . . 2.76 112.588 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.497 ' HE3' H5'' ' C' ' 10' ' ' ' DC' . 13.0 ttmt 53.24 -145.16 0.61 Allowed 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.82 0.364 . . . . 7.16 110.811 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 58.48 -163.52 0.21 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.327 0.651 . . . . 6.41 111.631 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -12.54 23.12 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.703 0.287 . . . . 6.96 111.469 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.47 0.539 0 CA-C-N 116.29 -0.414 . . . . 8.8 110.455 -179.663 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttm . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 121.409 0.624 . . . . 7.51 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -155.06 96.63 2.5 Favored Pre-proline 0 N--CA 1.442 -0.831 0 CA-C-N 115.328 -0.851 . . . . 7.83 110.431 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.11 -172.94 1.11 Allowed 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 123.08 2.52 . . . . 3.05 111.642 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.35 156.46 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.969 -0.56 . . . . 1.95 110.158 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.556 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 37.0 p -130.47 167.94 17.82 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.489 0.493 . . . . 1.74 110.369 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -78.76 -20.4 50.01 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.788 -0.449 . . . . 1.27 109.788 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' TYR . . . . . 0.515 ' HH ' ' H5 ' ' C' ' 12' ' ' ' DC' . 37.0 m-85 -81.83 -27.91 33.36 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.41 -0.814 . . . . 1.15 110.302 177.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -49.67 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.06 0.457 . . . . 1.81 111.058 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.97 -12.65 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.603 -0.726 . . . . 1.6 111.673 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.99 -51.18 6.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.016 0.436 . . . . 1.22 110.985 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.4 -40.35 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.29 -0.868 . . . . 2.73 110.276 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -61.6 -41.0 96.82 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 1.71 110.9 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -85.5 -10.03 56.62 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.21 111.811 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.34 32.2 83.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.258 -0.973 . . . . 1.53 111.362 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 m -97.74 176.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.576 -0.312 . . . . 1.79 110.996 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -91.01 11.55 22.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.647 -0.706 . . . . 2.16 112.146 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' B' ' 16' ' ' SER . 34.6 t80 73.54 -60.59 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.589 0.355 . . . . 2.19 111.627 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.577 ' OE1' ' C5 ' ' D' ' 6' ' ' ' DC' . 7.0 mp0 -58.91 -29.28 66.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.754 0.312 . . . . 3.17 111.323 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.452 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.2 OUTLIER -62.85 -36.92 84.85 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.154 -0.475 . . . . 1.41 110.617 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.35 -45.97 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 115.895 -0.593 . . . . 1.62 110.336 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -35.44 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.113 -0.494 . . . . 1.86 112.132 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' B' ' 26' ' ' GLN . 10.4 mmm180 -79.63 -31.23 41.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 122.104 -0.372 . . . . 5.24 110.587 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 19' ' ' THR . 64.2 t -64.35 -39.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.492 -0.483 . . . . 1.77 111.054 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 m -87.26 -20.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.946 0.35 . . . . 1.97 111.946 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -110.27 -73.41 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.362 0.505 . . . . 3.75 112.362 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLN . . . . . 0.483 ' HB3' ' NH2' ' B' ' 22' ' ' ARG . 18.5 tm0? -150.45 104.12 3.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.266 0.555 . . . . 4.82 110.864 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' B' ' 22' ' ' ARG . . . -94.05 125.25 38.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.566 -0.743 . . . . 2.56 111.175 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -108.82 -78.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.264 -0.426 . . . . 3.78 111.143 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -102.49 48.81 0.86 Allowed 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 110.044 -0.354 . . . . 2.69 110.044 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -99.19 122.06 50.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.74 -0.664 . . . . 1.52 110.714 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -73.02 141.55 47.68 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.229 0.538 . . . . 1.85 110.452 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.35 -17.09 62.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.328 -0.396 . . . . 1.48 111.842 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -67.15 -34.47 77.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.868 0.366 . . . . 3.68 111.424 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -22.65 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.532 . . . . 1.81 110.524 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.664 ' O ' HG22 ' B' ' 38' ' ' VAL . 25.8 ttt180 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.197 -0.91 . . . . 3.48 111.895 -178.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -34.63 78.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 122.007 0.908 . . . . 1.96 111.068 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -61.84 -34.86 76.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.18 -0.918 . . . . 2.82 112.361 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.664 HG22 ' O ' ' B' ' 35' ' ' ARG . 3.0 m -75.61 -22.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.246 -0.434 . . . . 1.43 111.3 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.25 -53.82 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.793 -0.447 . . . . 2.27 109.793 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.88 -40.31 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.176 -0.92 . . . . 1.26 111.155 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.062 -0.517 . . . . 0.8 112.082 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 19.2 ptp -61.85 -33.34 74.0 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.483 0.49 . . . . 1.52 111.183 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.79 42.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.56 0.578 . . . . 1.06 112.56 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.86 -43.29 46.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.239 0.543 . . . . 2.19 111.856 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -90.89 -6.34 54.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.187 -0.46 . . . . 1.28 111.841 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 t30 60.69 77.6 0.32 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 124.136 0.898 . . . . 1.84 110.898 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -74.47 122.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.28 111.302 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.6 125.1 24.38 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.674 -1.232 . . . . 1.39 107.674 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.51 103.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.72 2.28 . . . . 1.38 111.815 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.39 96.17 2.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.075 -0.966 . . . . 2.08 110.533 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.532 ' HD3' ' OE1' ' B' ' 54' ' ' GLN . 30.8 mmt-85 -79.78 86.88 5.3 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.813 0.816 . . . . 3.44 110.0 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.48 -64.4 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 113.528 -1.669 . . . . 1.9 108.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.03 7.38 21.61 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.962 -0.563 . . . . 1.21 110.395 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.532 ' OE1' ' HD3' ' B' ' 51' ' ' ARG . 96.8 mt-30 -90.55 -44.06 9.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.206 -0.452 . . . . 1.74 110.152 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.475 ' HB2' ' HA ' ' B' ' 60' ' ' GLN . 2.0 pt20 -71.57 -32.8 68.49 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.613 1.197 . . . . 3.28 108.187 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.455 HD21 ' N2 ' ' D' ' 12' ' ' ' DG' . 19.1 tp -86.39 49.54 1.82 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.558 -1.655 . . . . 1.67 110.092 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.84 -13.04 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 2.13 112.142 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.78 -64.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.321 -0.466 . . . . 2.17 112.917 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -131.96 134.74 45.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.827 0.346 . . . . 6.14 110.846 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.475 ' HA ' ' HB2' ' B' ' 55' ' ' GLN . 24.3 mp0 -62.05 -31.79 72.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.835 -0.62 . . . . 6.69 110.879 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -138.37 141.53 39.65 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.964 -0.562 . . . . 6.61 110.298 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.375 -0.821 . . . . 8.78 110.178 179.527 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' -1' ' ' ' DC' . . . . . 0.97 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.746 0 C3'-C2'-C1' 99.189 -2.508 . . . . 5.31 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.552 ' C8 ' " H1'" ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.223 0 C3'-C2'-C1' 98.886 -2.724 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.505 ' C8 ' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.791 -2.078 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.582 " H1'" ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.01 0 C3'-C2'-C1' 99.838 -2.044 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' ' DA' . . . . . 0.582 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.457 1.027 0 O4'-C1'-C2' 103.511 -2.354 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.473 ' N7 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C3'-C2'-C1' 99.689 -2.151 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.404 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.513 -0.58 0 O4'-C1'-C2' 103.982 -1.926 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.072 0 C3'-C2'-C1' 99.161 -2.528 . . . . 1.32 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.402 H2'' ' C8 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.62 -2.2 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.402 ' C8 ' H2'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 103.784 -2.105 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.497 H5'' ' HE3' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 103.597 -2.275 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.621 1.172 0 C3'-C2'-C1' 99.446 -2.324 . . . . 1.08 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.556 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.507 -0.972 0 C3'-C2'-C1' 99.343 -2.398 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.895 0 C3'-C2'-C1' 99.748 -2.109 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.55 " H1'" ' C6 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.86 0 C3'-C2'-C1' 99.532 -2.263 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . 0.55 ' C6 ' " H1'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.679 0 O4'-C1'-C2' 103.569 -2.301 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.427 " H2'" ' OP2' ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.031 0 C3'-C2'-C1' 99.98 -1.943 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 99.462 -2.313 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 C3'-C2'-C1' 99.283 -2.441 . . . . 2.45 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.493 H2'' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.973 0 C3'-C2'-C1' 99.513 -2.277 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.493 ' C6 ' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 C3'-C2'-C1' 98.991 -2.649 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.403 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.456 0.873 0 C3'-C2'-C1' 99.269 -2.45 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.403 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 99.245 -2.468 . . . . 3.45 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O5'-P-OP2 106.485 -0.672 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.553 " H1'" ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.75 0 C3'-C2'-C1' 99.329 -2.408 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.553 ' C8 ' " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C1'-O4'-C4' 110.618 0.656 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.55 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.871 0 C3'-C2'-C1' 100.643 -1.469 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.55 ' C7 ' H2'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 105.251 -0.772 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.532 H2'' ' C5 ' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 101.308 -0.994 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ' DC' . . . . . 0.577 ' C5 ' ' OE1' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.509 -0.839 0 O4'-C4'-C3' 106.263 0.663 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.594 0 C3'-C2'-C1' 101.961 -0.528 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.703 H2'' " O4'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 105.087 1.705 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.724 H2'' " O5'" ' D' ' 10' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.763 0 C2'-C3'-O3' 112.607 0.743 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . 0.724 " O5'" H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 99.606 -2.21 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 1.092 H2'' " O5'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.006 0 O4'-C4'-C3' 104.089 -1.511 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 1.092 " O5'" H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.623 1.369 0 C1'-O4'-C4' 111.123 1.016 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.764 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 O5'--C5' 1.422 -1.146 0 C1'-O4'-C4' 106.428 -2.337 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.713 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.201 0 O4'-C4'-C3' 104.242 -1.358 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.713 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C1'-O4'-C4' 110.446 0.533 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.498 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 N19-C1'-C2' 115.279 0.675 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.475 ' H6 ' " O5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.663 0 C1'-O4'-C4' 111.001 0.929 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 18' ' ' ' DT' . . . . . 0.405 H2'' ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 P--O3' 1.62 1.102 0 N19-C1'-C2' 115.696 0.935 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.594 H2'' " O5'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 N19-C1'-C2' 115.805 1.003 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ' DC' . . . . . 0.594 " O5'" H2'' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 C4'-C3'-C2' 104.144 0.944 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ' DC' . . . . . 0.551 H2'' ' C8 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C4'-C3'-C2' 104.705 1.505 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' ' DG' . . . . . 0.97 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 99.869 -2.022 . . . . 3.95 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.807 0.337 . . . . 5.8 110.271 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 96.5 mttt -94.03 149.02 36.23 Favored Pre-proline 0 C--O 1.235 0.307 0 N-CA-C 109.538 -0.542 . . . . 5.24 109.538 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 4.4 Cg_exo -77.97 74.94 5.04 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.416 2.077 . . . . 3.92 114.05 -178.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p -88.63 102.95 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 121.524 0.678 . . . . 1.84 109.406 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 46.9 p -121.01 -169.16 1.79 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.373 0.606 . . . . 2.09 112.109 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HG ' ' OP2' ' D' ' 13' ' ' ' DC' . 0.1 OUTLIER -52.03 -25.53 8.72 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.871 -1.059 . . . . 1.21 111.54 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -76.65 -38.05 55.26 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.537 -0.301 . . . . 1.86 110.717 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.66 -52.79 18.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.578 0.227 . . . . 2.12 110.54 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.48 -33.81 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.098 -0.501 . . . . 0.92 111.123 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.66 -57.59 10.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.511 -0.768 . . . . 1.02 111.354 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.54 -40.07 86.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.431 -0.804 . . . . 2.45 110.819 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -60.07 -42.76 95.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.051 -0.522 . . . . 1.78 111.518 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.67 -23.43 36.89 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.407 -0.36 . . . . 1.11 111.915 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.22 27.19 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.864 -0.684 . . . . 1.17 112.514 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.41 ' HB ' ' OG1' ' A' ' 19' ' ' THR . 3.5 m -137.12 -173.0 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 C-N-CA 122.733 0.413 . . . . 1.08 109.935 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.1 p -96.15 177.16 5.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.393 . . . . 1.92 110.033 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -67.59 -18.9 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.374 -0.376 . . . . 0.97 111.194 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.413 HE22 ' N4 ' ' D' ' 15' ' ' ' DC' . 5.9 tp-100 -69.73 -41.69 74.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 2.23 111.106 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.41 ' OG1' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -66.21 -41.41 90.16 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.315 -0.402 . . . . 1.21 110.513 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.39 -33.41 61.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.484 0.659 . . . . 1.59 110.919 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB3' ' OP2' ' D' ' 14' ' ' ' DT' . 58.0 m -82.75 -30.03 29.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.768 -0.651 . . . . 1.6 112.154 -179.061 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -57.67 -24.67 57.88 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.017 0.747 . . . . 4.27 113.017 -177.21 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.02 -46.41 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.936 -0.477 . . . . 1.76 111.793 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.67 -21.49 13.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 111.846 0.313 . . . . 1.87 111.846 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -77.19 -59.07 2.93 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.24 -0.436 . . . . 1.67 112.051 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -136.66 -29.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.183 0.438 . . . . 3.34 112.183 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.58 65.39 0.47 Allowed 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.927 0.491 . . . . 1.9 111.376 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 m -104.78 -142.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.14 109.529 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.55 74.56 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.89 0.852 . . . . 3.89 111.889 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' ' 22' ' ' ARG . 12.2 t -88.3 77.49 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 115.066 -0.97 . . . . 1.55 109.661 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 31.4 t 67.1 -40.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.278 0.986 . . . . 1.78 113.192 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 69.89 9.83 7.26 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 108.101 -1.074 . . . . 1.53 108.101 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.86 -38.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 113.969 -1.469 . . . . 4.2 110.486 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -104.2 3.64 33.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.334 -0.546 . . . . 1.48 111.081 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -60.12 -57.11 14.25 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.238 -0.437 . . . . 3.46 110.119 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -64.79 -37.14 86.6 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.918 -0.583 . . . . 2.64 109.768 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -54.17 -43.65 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 3.54 111.039 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.85 -43.74 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.719 0.637 . . . . 1.84 110.348 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 42.2 mt-10 -60.35 -54.38 46.39 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.472 -0.785 . . . . 1.84 110.674 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.63 78.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.479 -0.782 . . . . 1.25 111.15 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.33 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.575 -0.739 . . . . 1.09 111.557 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.5 ttm -59.19 -39.13 81.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.719 . . . . 1.44 111.384 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.81 23.79 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.14 -0.482 . . . . 1.39 110.983 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -59.99 -55.0 39.43 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.918 0.71 . . . . 2.08 112.918 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.2 mt -80.3 -12.94 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.27 0.47 . . . . 1.19 112.27 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 72.91 105.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.358 0.599 . . . . 2.04 109.599 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 10.8 t80 -141.83 131.59 24.21 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.776 -0.647 . . . . 1.77 110.0 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 50' ' ' ASN . 4.6 tt -118.42 106.63 44.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.524 . . . . 2.03 110.896 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.772 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 34.8 Cg_exo -66.12 19.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.037 2.491 . . . . 0.92 113.786 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 48' ' ' ILE . 22.4 m-80 59.84 -174.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.369 0.604 . . . . 1.55 111.235 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ptm85 -123.97 -33.21 3.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.252 0.549 . . . . 3.53 111.558 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -120.93 -0.04 10.16 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.171 -0.468 . . . . 1.65 112.261 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.07 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.09 0.472 . . . . 0.97 110.495 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -86.64 6.89 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.742 -0.663 . . . . 1.67 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.603 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 40.6 mt-30 -118.88 32.66 6.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.207 -0.452 . . . . 2.12 112.015 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.474 HD11 " O4'" ' C' ' 11' ' ' ' DG' . 16.1 tp -115.36 -30.06 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.529 0.681 . . . . 1.44 111.3 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.53 23.34 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.046 -0.409 . . . . 1.86 111.522 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.6 151.39 5.73 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.403 -0.679 . . . . 2.76 111.403 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.603 ' NZ ' ' HB3' ' A' ' 55' ' ' GLN . 55.4 mmtt -109.97 -12.13 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.575 0.226 . . . . 7.16 110.86 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 53.6 -105.4 0.25 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.626 -0.715 . . . . 6.41 111.123 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.0 m -96.54 74.38 2.8 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.611 0.719 . . . . 6.96 109.346 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.0 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 114.337 -1.301 . . . . 8.8 110.94 -179.23 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.674 ' SD ' ' HD2' ' B' ' 3' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.621 0.248 . . . . 7.51 110.717 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.565 ' H ' ' HD2' ' B' ' 3' ' ' PRO . 0.3 OUTLIER -130.67 -55.64 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.447 -0.342 . . . . 7.83 111.888 -179.276 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.674 ' HD2' ' SD ' ' B' ' 1' ' ' MET . 94.8 Cg_endo -83.8 166.74 13.24 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.266 1.977 . . . . 3.05 113.737 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p -97.31 167.73 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 CA-C-N 114.852 -1.067 . . . . 1.95 109.564 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.54 161.74 41.49 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 124.754 1.284 . . . . 1.74 108.62 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.463 HD12 " H3'" ' C' ' 12' ' ' ' DC' . 0.3 OUTLIER -73.19 -24.33 60.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.237 0.541 . . . . 1.27 111.205 -178.685 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -63.5 -27.89 69.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 1.15 110.874 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.402 ' HB3' HD13 ' B' ' 45' ' ' LEU . 43.5 m-20 -62.53 -59.17 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 1.81 110.587 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.58 -33.61 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.846 -0.616 . . . . 1.6 111.473 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.35 71.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.166 -0.47 . . . . 1.22 111.324 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.71 -35.15 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.757 0.28 . . . . 2.73 111.757 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -65.29 -44.36 88.21 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.29 0.567 . . . . 1.71 111.249 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -84.61 -18.54 35.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.065 -0.516 . . . . 1.21 112.349 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.41 35.11 75.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 119.902 -1.142 . . . . 1.53 111.009 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 5.3 m -92.2 163.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 1.79 111.193 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -89.83 33.75 0.85 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.258 -0.428 . . . . 2.16 111.55 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 67.46 -47.12 0.49 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.557 0.743 . . . . 2.19 112.751 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.652 ' HG2' ' H41' ' C' ' 15' ' ' ' DC' . 0.0 OUTLIER -65.41 -24.78 67.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.26 0.624 . . . . 3.17 111.844 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.56 76.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.871 0.693 . . . . 1.41 112.871 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -35.61 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.817 0.673 . . . . 1.62 112.817 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 2.9 p -63.21 -34.17 77.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.759 0.314 . . . . 1.86 111.683 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.41 ' HD3' ' OE1' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -75.75 -37.17 59.56 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 112.535 0.568 . . . . 5.24 112.535 -179.021 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.936 HG21 HG21 ' B' ' 38' ' ' VAL . 60.0 t -65.96 -34.45 70.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.353 0.597 . . . . 1.77 110.602 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 t -81.22 -29.63 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.056 -0.52 . . . . 1.97 110.375 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.83 -81.77 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.639 0.237 . . . . 3.75 111.639 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -154.1 88.84 1.26 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.219 0.533 . . . . 4.82 111.146 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 110.79 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 2.56 110.622 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -111.83 -45.61 3.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.206 -0.452 . . . . 3.78 112.004 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.0 62.41 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.551 -0.46 . . . . 2.69 111.819 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t -116.17 116.27 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.19 -1.041 . . . . 1.52 108.19 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' B' ' 35' ' ' ARG . 24.8 p -61.11 144.31 53.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.499 0.19 . . . . 1.85 111.04 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.8 -33.21 34.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 1.48 111.414 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.0 -55.04 40.09 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.167 -0.469 . . . . 3.68 111.499 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.09 -14.68 55.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.3 0.571 . . . . 1.81 110.996 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.46 ' O ' HG22 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -67.48 -23.83 65.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.556 -0.747 . . . . 3.48 111.733 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' B' ' 37' ' ' LYS . 7.2 pt-20 -88.42 -31.83 18.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.137 0.494 . . . . 1.96 110.29 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 8.2 mmmt -61.25 -27.69 68.63 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.613 -0.721 . . . . 2.82 112.061 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.936 HG21 HG21 ' B' ' 23' ' ' VAL . 29.5 m -73.12 -32.29 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.86 0.362 . . . . 1.43 111.623 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.37 -46.28 87.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.34 -0.391 . . . . 2.27 110.883 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.19 -40.5 77.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.119 0.485 . . . . 1.26 110.764 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -69.15 -56.48 7.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.931 -0.577 . . . . 0.8 112.508 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.41 ' HB2' ' HE3' ' B' ' 42' ' ' MET . 55.9 mtm -61.76 -29.76 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.82 0.674 . . . . 1.52 112.82 -177.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.04 -38.62 16.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.516 0.561 . . . . 1.06 112.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.32 -48.6 69.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.899 0.38 . . . . 2.19 111.883 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' B' ' 8' ' ' ASP . 96.7 mt -95.74 -2.84 47.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.426 -0.352 . . . . 1.28 111.709 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 55.26 67.62 0.99 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.144 -0.48 . . . . 1.84 111.77 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -65.23 120.56 12.96 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.254 0.549 . . . . 1.28 111.369 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mt -117.32 121.9 31.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 108.625 -0.88 . . . . 1.39 108.625 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.01 96.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.812 2.341 . . . . 1.38 111.868 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -81.51 118.32 22.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.522 -0.763 . . . . 2.08 111.406 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ARG . . . . . 0.414 ' HE ' ' HB3' ' B' ' 51' ' ' ARG . 55.3 mtp180 -81.05 104.25 11.41 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 122.008 0.909 . . . . 3.44 110.457 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -167.11 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.084 -1.416 . . . . 1.9 108.032 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.52 5.27 28.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 1.21 110.5 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -88.05 -46.58 9.2 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.951 0.881 . . . . 1.74 109.055 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' B' ' 60' ' ' GLN . 42.3 mt-30 -71.04 -39.68 72.15 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.591 -1.186 . . . . 3.28 109.513 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.601 ' HG ' ' O2 ' ' D' ' 11' ' ' ' DC' . 13.6 tp -63.32 -27.28 69.21 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.004 -0.998 . . . . 1.67 110.875 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.65 58.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.047 0.388 . . . . 2.13 112.047 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.82 -49.97 0.87 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.867 -0.682 . . . . 2.17 112.662 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -81.32 88.72 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.07 0.462 . . . . 6.14 109.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 49.9 mt-30 -62.12 -74.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.051 -0.977 . . . . 6.69 111.362 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -152.25 23.86 0.63 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.191 -0.459 . . . . 6.61 109.893 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 62' ' ' LEU . 41.4 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.557 -0.735 . . . . 8.78 111.052 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' -1' ' ' ' DC' . . . . . 0.956 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C3'-C2'-C1' 99.246 -2.467 . . . . 5.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.56 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.454 0.752 0 C3'-C2'-C1' 99.131 -2.549 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.593 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.021 0 O4'-C1'-C2' 103.877 -2.021 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.593 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 98.948 -2.68 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 C3'-C2'-C1' 99.61 -2.207 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.436 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.023 0 C3'-C2'-C1' 99.63 -2.193 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.436 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.05 0 C3'-C2'-C1' 99.801 -2.07 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.419 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 99.551 -2.249 . . . . 1.32 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.419 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.965 0 C3'-C2'-C1' 99.605 -2.21 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.091 0 C3'-C2'-C1' 99.343 -2.398 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.561 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.937 0 O4'-C1'-C2' 103.895 -2.005 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.561 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 103.767 -2.121 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.463 " H3'" HD12 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 O4'-C1'-C2' 103.675 -2.204 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.014 0 C3'-C2'-C1' 99.585 -2.225 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.484 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 C3'-C2'-C1' 99.903 -1.998 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . 0.652 ' H41' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.51 -0.753 0 O4'-C1'-C2' 103.852 -2.043 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . 0.616 ' C8 ' H2'' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.51 -0.753 0 C3'-C2'-C1' 99.738 -2.115 . . . . 2.55 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C3'-C2'-C1' 99.835 -2.046 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.45 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 C3'-C2'-C1' 99.449 -2.322 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.45 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 P--O3' 1.596 -0.924 0 C3'-C2'-C1' 99.275 -2.446 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.474 H2'' ' C7 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 98.975 -2.661 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.66 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 98.894 -2.718 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.66 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 C3'-C2'-C1' 99.29 -2.436 . . . . 3.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C3'-C2'-C1' 100.621 -1.485 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.51 " H1'" ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C3'-C2'-C1' 99.372 -2.377 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.51 ' C8 ' " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.407 -0.986 0 C4'-C3'-C2' 104.611 1.411 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.537 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.746 -2.11 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.537 ' C7 ' H2'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 101.125 -1.125 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.453 0.636 0 O4'-C1'-N19 108.876 1.345 . . . . 1.81 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C4'-C3'-C2' 104.031 0.831 . . . . 1.84 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.888 0 C3'-C2'-C1' 100.145 -1.825 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.511 " H2'" ' C5 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 C3'-C2'-C1' 105.226 1.804 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.511 ' C5 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 102.059 -0.458 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.924 0 C3'-C2'-C1' 99.835 -2.047 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.601 ' O2 ' ' HG ' ' B' ' 56' ' ' LEU . . . . . . . . 0 O4'--C4' 1.439 -0.657 0 C3'-C2'-C1' 105.625 2.09 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.484 " C5'" H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 105.127 1.927 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.772 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C1'-O4'-C4' 107.383 -1.655 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.79 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 C4'-C3'-C2' 101.592 -1.608 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.79 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C1'-O4'-C4' 110.387 0.491 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.519 H2'' " O5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 105.437 1.955 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.519 " O5'" H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.6 0 O4'-C4'-C3' 104.156 -1.444 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 18' ' ' ' DT' . . . . . 0.477 ' C6 ' " H2'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.56 0 C3'-C2'-C1' 102.098 -0.43 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.569 H2'' " O5'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 104.177 0.977 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ' DC' . . . . . 0.569 " O5'" H2'' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 107.167 0.97 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ' DC' . . . . . 0.401 H2'' ' C8 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.588 0 O4'-C1'-C2' 104.672 -1.298 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 22' ' ' ' DG' . . . . . 0.956 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.554 0 C1'-O4'-C4' 110.409 0.507 . . . . 3.95 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 mtt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 110.472 -0.196 . . . . 5.8 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -86.74 154.21 55.72 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.338 -0.616 . . . . 5.24 109.338 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -61.88 89.79 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.457 2.105 . . . . 3.92 111.063 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 m -94.77 167.31 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.533 0 CA-C-N 115.745 -0.661 . . . . 1.84 109.632 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.552 ' HA ' ' CD1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -152.09 -168.41 3.06 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 124.245 0.966 . . . . 2.09 110.389 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.688 HD12 ' HD1' ' A' ' 7' ' ' TYR . 2.0 pp -55.3 -8.1 0.29 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.899 1.074 . . . . 1.21 113.899 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.688 ' HD1' HD12 ' A' ' 6' ' ' LEU . 2.5 m-30 -81.64 -46.96 13.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.465 -0.569 . . . . 1.86 109.465 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.6 -50.25 7.85 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.287 -0.869 . . . . 2.12 111.978 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.76 -34.36 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.901 -0.59 . . . . 0.92 111.201 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.75 -56.85 16.67 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.158 -0.474 . . . . 1.02 110.856 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.76 -39.43 80.96 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 110.238 -0.282 . . . . 2.45 110.238 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.642 ' CD2' HD11 ' A' ' 45' ' ' LEU . 88.4 t80 -57.65 -54.96 41.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.11 -0.495 . . . . 1.78 110.387 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.1 -18.68 62.52 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.98 0.363 . . . . 1.11 111.98 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.95 22.72 24.78 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 119.661 -1.257 . . . . 1.17 112.435 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 m -132.07 -168.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.84 0.353 . . . . 1.08 110.777 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -109.97 -179.9 3.92 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.464 -0.569 . . . . 1.92 109.464 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CB ' HD13 ' A' ' 6' ' ' LEU . 19.9 p90 -79.16 -6.78 57.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.657 0.614 . . . . 0.97 112.657 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -75.98 -34.67 59.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.392 0.615 . . . . 2.23 109.477 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -68.63 -42.8 77.52 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.605 -0.725 . . . . 1.21 109.822 179.327 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.79 -41.83 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.983 -0.553 . . . . 1.59 109.892 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 t -55.76 -31.27 62.43 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.955 -0.566 . . . . 1.6 110.6 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -80.97 -32.52 34.38 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.654 -0.419 . . . . 4.27 111.02 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.494 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 53.2 t -69.49 -35.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 1.76 111.16 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 m -80.41 -20.3 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 CA-C-O 121.282 0.563 . . . . 1.87 111.448 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -92.93 -56.12 3.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.349 -0.842 . . . . 1.67 112.479 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.497 0.554 . . . . 3.34 112.497 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . 62.56 27.94 16.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.516 0.674 . . . . 1.9 110.844 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 p -88.13 -79.34 0.3 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.768 -0.651 . . . . 2.14 111.479 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.45 88.19 6.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.934 0.397 . . . . 3.89 111.116 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' A' ' 32' ' ' ALA . 57.0 t -124.03 83.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.959 -0.564 . . . . 1.55 110.223 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.7 m 64.58 -21.81 0.07 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.759 1.022 . . . . 1.78 113.759 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 74.07 -5.5 2.04 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.993 0.917 . . . . 1.53 110.49 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -128.31 -35.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 4.2 111.182 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 27.55 7.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.238 0.542 . . . . 1.48 111.774 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.48 -48.32 14.12 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.704 -0.68 . . . . 3.46 111.201 -177.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -19.79 39.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.441 -0.345 . . . . 2.64 110.261 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -46.44 89.1 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.407 0.521 . . . . 3.54 112.407 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 t -57.23 -37.29 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.926 0.393 . . . . 1.84 110.979 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -57.57 -42.38 82.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.985 0.422 . . . . 1.84 111.26 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.12 -32.91 56.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.299 -0.864 . . . . 1.25 111.269 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.65 87.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.237 -0.438 . . . . 1.09 111.099 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.9 mtm -61.01 -41.42 96.5 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.229 0.538 . . . . 1.44 110.727 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.21 -29.34 62.74 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.858 -0.61 . . . . 1.39 111.644 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -43.96 61.95 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.955 0.724 . . . . 2.08 112.955 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.642 HD11 ' CD2' ' A' ' 12' ' ' TYR . 16.4 mt -87.47 -15.83 36.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.999 0.428 . . . . 1.19 110.98 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 73.74 93.81 0.08 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.065 -1.087 . . . . 2.04 108.065 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 4.5 t80 -137.92 139.13 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.844 -1.071 . . . . 1.77 110.802 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 50' ' ' ASN . 36.8 mm -125.16 114.67 26.06 Favored Pre-proline 0 N--CA 1.445 -0.687 0 CA-C-N 115.852 -0.613 . . . . 2.03 109.922 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -64.07 26.03 0.07 OUTLIER 'Trans proline' 0 N--CA 1.483 0.858 0 C-N-CA 123.787 2.992 . . . . 0.92 114.424 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 48' ' ' ILE . 9.3 m-20 57.89 169.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.689 0.996 . . . . 1.55 113.689 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -113.72 -22.17 10.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.652 1.215 . . . . 3.53 108.051 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -128.96 117.51 21.07 Favored 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.566 -1.652 . . . . 1.65 107.136 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 178.68 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.693 -0.685 . . . . 0.97 111.661 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 92.8 mt-30 -65.16 -14.65 61.11 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.228 -0.896 . . . . 1.67 111.788 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' SG ' ' B' ' 52' ' ' CYS . 19.6 mp0 -91.9 17.7 8.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.124 0.488 . . . . 2.12 110.826 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.28 11.06 4.94 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.091 0.472 . . . . 1.44 110.973 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.45 141.48 28.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.467 -0.333 . . . . 1.86 110.454 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 154.73 85.2 0.05 OUTLIER Glycine 0 CA--C 1.505 -0.58 0 C-N-CA 120.558 -0.829 . . . . 2.76 112.236 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -128.66 136.38 50.57 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.576 -0.528 . . . . 7.16 109.576 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 21.2 mp0 -117.86 142.29 47.48 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.333 -0.394 . . . . 6.41 109.99 179.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.21 -47.64 70.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.011 0.434 . . . . 6.96 110.7 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 tp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.774 -0.648 . . . . 8.8 110.604 179.361 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mtp . . . . . 0 C--O 1.236 0.353 0 CA-C-O 120.938 0.399 . . . . 7.51 110.055 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.569 ' HG2' HD12 ' B' ' 48' ' ' ILE . 46.3 tttp -170.59 -55.36 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.164 -0.926 . . . . 7.83 110.66 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.473 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 65.6 Cg_endo -75.04 168.26 25.21 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.695 1.596 . . . . 3.05 111.121 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.5 m -141.57 142.9 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 116.168 -0.469 . . . . 1.95 110.589 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.537 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 39.3 p -65.71 162.29 18.89 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.517 -0.765 . . . . 1.74 111.769 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.61 -14.2 62.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 1.27 111.573 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -71.65 -37.36 70.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.017 -1.105 . . . . 1.15 108.017 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.92 -50.64 72.61 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.12 -0.945 . . . . 1.81 109.171 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t -60.95 -50.7 79.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 114.423 -1.262 . . . . 1.6 111.33 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.419 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -55.35 -48.43 74.24 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 123.069 0.231 . . . . 1.22 111.016 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.61 -41.63 92.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.579 0.704 . . . . 2.73 110.917 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -67.38 -32.94 74.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.508 -0.769 . . . . 1.71 112.562 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.85 -17.96 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.559 -0.291 . . . . 1.21 111.547 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.88 34.85 46.85 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 120.758 -0.734 . . . . 1.53 112.346 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.91 -168.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.516 0.158 . . . . 1.79 110.893 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.2 p -92.95 169.22 10.6 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.699 0.761 . . . . 2.16 112.546 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -71.08 -16.64 62.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.285 -1.325 . . . . 2.19 110.994 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -87.38 -54.78 4.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.23 0.538 . . . . 3.17 110.402 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -28.12 56.75 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.305 0.854 . . . . 1.41 113.305 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.442 ' O ' HG23 ' B' ' 24' ' ' VAL . 10.7 m -78.34 -32.48 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 N-CA-C 112.487 0.551 . . . . 1.62 112.487 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -81.21 -36.27 30.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.335 0.588 . . . . 1.86 111.679 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 27.2 mmm180 -72.41 -35.75 68.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.503 0.557 . . . . 5.24 112.503 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.62 -17.89 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.606 0.566 . . . . 1.77 112.428 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 20' ' ' VAL . 92.5 t -57.39 -63.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.274 -0.269 . . . . 1.97 110.274 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -173.49 35.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.704 -0.48 . . . . 3.75 109.704 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -119.35 -27.63 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.798 -0.361 . . . . 4.82 111.578 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . . . -146.74 145.41 29.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 2.56 111.276 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.53 -4.81 22.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.055 0.455 . . . . 3.78 110.029 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.98 40.48 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 2.69 112.523 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.8 t -120.37 138.0 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 1.52 110.266 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -62.55 146.94 50.52 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.147 -0.478 . . . . 1.85 110.043 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.68 88.45 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.065 -0.516 . . . . 1.48 111.545 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.08 -26.56 66.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.809 -0.632 . . . . 3.68 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.3 m -87.31 -34.14 18.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.356 0.598 . . . . 1.81 110.476 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.85 -28.15 64.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.678 -0.692 . . . . 3.48 111.852 -177.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.83 -35.19 72.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.139 0.495 . . . . 1.96 110.912 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -70.78 -44.78 65.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.566 -0.743 . . . . 2.82 110.997 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.95 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.11 -0.495 . . . . 1.43 111.308 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 7.5 mt-10 -66.08 -39.42 90.01 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.646 -0.501 . . . . 2.27 109.646 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.65 -37.18 80.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.944 0.402 . . . . 1.26 110.318 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.99 66.13 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.846 0.355 . . . . 0.8 111.658 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' MET . . . . . 0.528 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 12.9 ptp -65.82 -30.54 71.18 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.636 -0.425 . . . . 1.52 111.133 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.89 34.87 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.234 0.54 . . . . 1.06 111.911 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -73.92 -41.28 62.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.553 -0.749 . . . . 2.19 110.771 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.34 -1.03 57.32 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.833 -0.621 . . . . 1.28 112.519 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 57.07 61.88 2.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 1.84 111.779 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.528 ' HB3' ' HB2' ' B' ' 42' ' ' MET . 26.0 t80 -69.94 106.89 3.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 120.987 0.422 . . . . 1.28 110.588 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' ILE . . . . . 0.569 HD12 ' HG2' ' B' ' 2' ' ' LYS . 68.8 mt -109.14 131.96 21.5 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 107.641 -1.244 . . . . 1.39 107.641 176.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.34 101.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.771 2.314 . . . . 1.38 111.97 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -71.7 119.89 16.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.782 -1.099 . . . . 2.08 111.675 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -84.74 -179.13 7.04 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.133 -1.062 . . . . 3.44 108.133 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 61.8 m 60.38 46.48 9.89 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.403 0.62 . . . . 1.9 109.562 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 171.25 -25.19 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.862 -1.517 . . . . 1.21 109.465 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -90.05 -35.51 15.44 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 125.034 1.459 . . . . 1.74 109.215 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.504 ' HB2' ' HB2' ' B' ' 61' ' ' SER . 61.0 tt0 -85.47 -16.41 39.71 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.734 -0.839 . . . . 3.28 108.734 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.716 HD23 ' N2 ' ' C' ' 11' ' ' ' DG' . 9.5 tp -90.67 -35.31 15.02 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.584 -1.189 . . . . 1.67 110.334 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.66 -27.03 61.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.025 -0.534 . . . . 2.13 110.538 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.24 -115.41 0.32 Allowed Glycine 0 N--CA 1.438 -1.218 0 CA-C-N 115.475 -0.784 . . . . 2.17 111.551 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -146.2 59.64 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.766 0.283 . . . . 6.14 111.003 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 14.1 mt-30 -105.76 17.51 23.62 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.239 -0.584 . . . . 6.69 112.152 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' B' ' 55' ' ' GLN . 0.7 OUTLIER -161.89 165.29 27.85 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.694 -0.484 . . . . 6.61 109.694 179.264 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.484 ' HA ' ' NE2' ' B' ' 55' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.825 -1.084 . . . . 8.78 110.554 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' -1' ' ' ' DC' . . . . . 0.958 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.083 0 C3'-C2'-C1' 99.554 -2.247 . . . . 5.31 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.446 " H1'" ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.894 0 O4'-C1'-C2' 103.742 -2.143 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.715 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 O4'-C1'-C2' 103.824 -2.069 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.715 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 99.1 -2.571 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' ' DA' . . . . . 0.514 H2'' ' C8 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 O4'-C1'-C2' 103.662 -2.216 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.514 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 O4'-C1'-C2' 103.735 -2.15 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.872 0 C3'-C2'-C1' 99.242 -2.47 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.073 0 C3'-C2'-C1' 99.191 -2.506 . . . . 1.32 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.566 -2.239 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.953 0 C3'-C2'-C1' 99.654 -2.176 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.526 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 O4'-C1'-C2' 103.91 -1.991 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.716 ' N2 ' HD23 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.621 1.158 0 C3'-C2'-C1' 99.554 -2.247 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.537 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 99.159 -2.529 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.45 ' C8 ' H2'' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.5 -1.512 0 C3'-C2'-C1' 99.193 -2.505 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.576 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.454 0.73 0 O4'-C1'-C2' 103.783 -2.106 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . 0.576 ' C5 ' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.64 -2.186 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 104.097 -1.821 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.448 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.882 0 C3'-C2'-C1' 99.173 -2.519 . . . . 2.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.533 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.12 0 C3'-C2'-C1' 99.198 -2.501 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.533 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.843 0 C3'-C2'-C1' 99.056 -2.603 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.51 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 C3'-C2'-C1' 99.149 -2.536 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.478 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.024 0 C3'-C2'-C1' 99.474 -2.304 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.474 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.136 0 C3'-C2'-C1' 99.563 -2.241 . . . . 3.45 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 101.334 -0.976 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.427 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.124 0 C3'-C2'-C1' 100.785 -1.368 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.5 H2'' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 103.721 0.521 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.5 ' C6 ' H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 99.467 -2.309 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.442 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.411 -0.72 0 C1'-O4'-C4' 107.451 -1.606 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.442 " O5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 O4'-C1'-N19 108.539 0.924 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ' DC' . . . . . 0.539 H2'' " O5'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 N19-C1'-C2' 115.411 0.757 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . 0.539 " O5'" H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C3'-C2'-C1' 101.345 -0.968 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.595 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-O4'-C4' 111.315 1.154 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.595 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 N19-C1'-C2' 115.62 0.887 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.597 -0.837 0 O4'-C4'-C3' 106.386 0.786 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.615 " H5'" ' C6 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 105.166 1.761 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.599 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 104.55 1.35 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.575 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 C3'-C2'-C1' 105.485 1.989 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.575 ' C6 ' " H2'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 104.971 1.622 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.469 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C4'-C3'-C2' 104.268 1.068 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.515 H2'' ' C6 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C1'-O4'-C4' 110.412 0.509 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.654 " H2'" ' C6 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.438 -0.709 0 C3'-C2'-C1' 105.017 1.655 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 18' ' ' ' DT' . . . . . 0.654 ' C6 ' " H2'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 C4'-C3'-C2' 104.172 0.972 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.629 ' C8 ' " C2'" ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 N19-C1'-C2' 115.659 0.912 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ' DC' . . . . . 0.662 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.532 0.424 0 N19-C1'-C2' 115.664 0.915 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ' DC' . . . . . 0.662 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C3'-C2'-C1' 104.774 1.481 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 22' ' ' ' DG' . . . . . 0.958 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.537 0.867 0 O4'-C1'-C2' 105.025 -0.977 . . . . 3.95 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 121.245 0.545 . . . . 5.8 111.289 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.442 ' O ' HG13 ' A' ' 4' ' ' VAL . 5.6 tmtt? -129.15 136.49 29.25 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.312 -0.995 . . . . 5.24 108.312 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.38 94.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.41 2.74 . . . . 3.92 112.669 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 2' ' ' LYS . 17.1 m -86.97 179.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 115.274 -0.875 . . . . 1.84 108.888 178.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.527 ' OG1' HD22 ' A' ' 6' ' ' LEU . 2.5 t -108.05 162.14 14.32 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.94 -0.573 . . . . 2.09 110.704 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -54.95 -12.99 0.94 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.735 0.643 . . . . 1.21 112.735 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -67.34 -31.96 72.58 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.511 0.672 . . . . 1.86 110.034 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.48 -51.16 12.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.598 0.713 . . . . 2.12 110.823 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.56 -36.68 74.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 0.92 110.984 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.44 -44.09 89.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 1.02 111.351 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -41.76 97.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.058 0.456 . . . . 2.45 110.372 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.24 -32.7 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.268 -0.878 . . . . 1.78 110.784 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.13 -18.11 47.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.829 0.347 . . . . 1.11 111.927 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.74 22.58 52.88 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.104 -0.57 . . . . 1.17 113.295 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.24 -173.21 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 117.129 0.465 . . . . 1.08 110.845 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -85.61 160.17 19.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 1.92 110.971 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 32.6 p90 -62.17 -18.57 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.555 0.576 . . . . 0.97 112.555 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 41.5 tp60 -70.57 -22.97 62.52 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.534 -0.543 . . . . 2.23 109.534 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.622 ' HA ' ' NH1' ' A' ' 22' ' ' ARG . 88.2 m -77.88 -32.78 52.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.939 0.4 . . . . 1.21 110.017 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 t -77.55 -35.87 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.753 -0.832 . . . . 1.59 108.753 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -75.26 -16.38 60.45 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.854 0.835 . . . . 1.6 109.332 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.622 ' NH1' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -74.04 -42.56 60.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 4.27 112.623 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 25.4 m -73.23 -17.7 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.176 0.806 . . . . 1.76 113.176 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.69 -36.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.161 0.505 . . . . 1.87 111.461 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -95.32 -32.87 12.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.335 0.865 . . . . 1.67 113.335 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -119.79 -60.86 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.087 -0.245 . . . . 3.34 110.952 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 65.83 24.36 11.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.693 0.621 . . . . 1.9 112.224 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -116.79 -65.56 1.17 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.903 -0.319 . . . . 2.14 111.332 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.03 73.06 5.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.236 0.541 . . . . 3.89 111.286 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 22' ' ' ARG . 2.2 t -122.26 44.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.862 -0.422 . . . . 1.55 109.862 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.31 1.82 1.73 Allowed 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.364 -0.38 . . . . 1.78 111.844 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.94 -52.59 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.02 0.928 . . . . 1.53 112.262 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 28.1 mmtp -67.57 -50.51 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.038 0.535 . . . . 4.2 112.192 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -73.09 -14.72 61.45 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.274 0.472 . . . . 1.48 112.274 -178.675 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 1.8 tmt_? -52.09 -49.87 62.72 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 124.127 0.892 . . . . 3.46 112.132 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.74 -31.48 46.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.216 -0.902 . . . . 2.64 111.359 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -53.75 -56.3 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.735 0.647 . . . . 3.54 112.096 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 42' ' ' MET . 6.4 m -65.59 -27.91 42.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 112.507 0.558 . . . . 1.84 112.507 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 41.3 mt-10 -69.2 -40.05 78.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.853 0.358 . . . . 1.84 110.28 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.05 72.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.162 -0.472 . . . . 1.25 111.251 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.64 88.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 1.09 111.429 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.423 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 1.6 ptm -63.87 -34.87 78.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.117 -0.492 . . . . 1.44 111.881 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.45 32.63 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.918 -0.488 . . . . 1.39 109.809 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.23 -40.91 87.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.307 -0.86 . . . . 2.08 111.23 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.24 5.4 45.0 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.182 -0.463 . . . . 1.19 111.791 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.59 31.91 21.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.659 0.743 . . . . 2.04 110.635 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.58 143.41 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.011 -0.995 . . . . 1.77 110.764 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 50' ' ' ASN . 1.7 pt -135.34 109.78 10.49 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.289 -0.634 . . . . 2.03 109.289 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.97 21.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.485 1.027 0 C-N-CA 123.222 2.615 . . . . 0.92 113.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' A' ' 48' ' ' ILE . 40.6 m-80 53.85 -150.87 0.37 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.304 -0.407 . . . . 1.55 110.131 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.39 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.608 -0.886 . . . . 3.53 108.608 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -30.49 53.09 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.312 -0.625 . . . . 1.65 109.312 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.3 -28.07 67.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.084 -0.507 . . . . 0.97 111.462 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -71.83 -11.22 60.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.01 -0.541 . . . . 1.67 110.352 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -102.08 26.33 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.216 0.531 . . . . 2.12 110.721 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.484 HD11 " C4'" ' C' ' 11' ' ' ' DG' . 7.5 tp -138.16 60.97 1.6 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 1.44 109.57 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.5 153.29 17.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 1.86 110.453 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.48 129.12 4.42 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 120.51 -0.853 . . . . 2.76 113.244 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -80.5 126.46 31.24 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.883 -0.327 . . . . 7.16 110.317 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -90.37 65.07 6.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.263 -0.426 . . . . 6.41 110.726 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -73.42 -19.72 60.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.702 -0.681 . . . . 6.96 110.774 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.7 tp . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 109.548 -0.538 . . . . 8.8 109.548 179.28 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 ttm . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.752 0.311 . . . . 7.51 110.22 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -115.47 121.06 35.23 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 7.83 109.931 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -83.68 156.63 13.92 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.508 2.139 . . . . 3.05 112.984 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p -168.98 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.953 -1.022 . . . . 1.95 109.079 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.58 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 0.0 OUTLIER -65.96 139.68 58.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.999 -1.0 . . . . 1.74 112.538 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -64.64 -31.93 73.37 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.327 -0.851 . . . . 1.27 109.491 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -56.17 -40.38 73.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.663 -0.495 . . . . 1.15 109.663 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.9 m-20 -56.72 -51.13 70.01 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.734 0.778 . . . . 1.81 110.532 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.36 -48.99 79.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 CA-C-N 114.491 -1.231 . . . . 1.6 112.027 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.79 88.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.968 0.413 . . . . 1.22 111.85 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.17 -44.08 97.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.229 -0.441 . . . . 2.73 110.281 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.41 -33.75 76.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.945 -0.571 . . . . 1.71 111.273 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.49 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.321 0.489 . . . . 1.21 112.321 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.65 38.36 91.43 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 121.722 -0.275 . . . . 1.53 112.586 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 32.5 m -131.43 -170.13 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.189 -0.3 . . . . 1.79 110.189 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -78.06 174.13 11.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.26 0.553 . . . . 2.16 110.699 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -26.49 37.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.523 -0.762 . . . . 2.19 110.022 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.645 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -79.76 -13.7 59.25 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.859 -0.336 . . . . 3.17 111.224 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.64 -20.9 23.12 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 112.578 0.585 . . . . 1.41 112.578 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -32.82 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 C-N-CA 120.737 -0.385 . . . . 1.62 111.929 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -44.18 17.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.282 0.563 . . . . 1.86 109.888 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.645 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 2.2 ttt180 -44.11 -37.13 2.91 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.791 1.236 . . . . 5.24 113.556 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 p -78.47 -14.74 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 112.059 0.392 . . . . 1.77 112.059 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.8 -72.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.015 0.436 . . . . 1.97 110.688 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -164.56 79.03 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.773 -0.649 . . . . 3.75 109.646 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -151.68 -66.3 0.18 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.182 0.515 . . . . 4.82 110.768 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.18 125.14 25.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.977 -0.556 . . . . 2.56 110.838 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -89.74 -18.75 25.76 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.448 0.642 . . . . 3.78 110.597 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -69.04 66.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.594 -1.184 . . . . 2.69 111.319 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 t -126.49 146.43 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.263 -0.88 . . . . 1.52 109.189 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . 0.659 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 7.8 m -62.85 138.35 58.51 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.601 -0.518 . . . . 1.85 109.601 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' B' ' 35' ' ' ARG . . . -58.92 -39.38 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 1.48 110.751 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.511 ' HA ' ' OE1' ' B' ' 36' ' ' GLU . 2.8 tptp -66.69 -30.03 70.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 3.68 111.563 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.659 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -82.25 -40.2 21.93 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.358 -0.383 . . . . 1.81 111.091 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' B' ' 32' ' ' ALA . 14.9 ptm180 -78.47 -21.89 48.37 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.851 0.686 . . . . 3.48 112.851 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' B' ' 33' ' ' LYS . 11.9 pt-20 -64.08 -34.52 78.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.104 0.478 . . . . 1.96 110.5 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.14 -38.53 60.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.214 0.53 . . . . 2.82 110.595 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 34' ' ' THR . 21.7 t -64.39 -46.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 1.43 111.026 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.38 -38.41 80.43 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 123.8 0.687 . . . . 2.27 111.058 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.42 0.8 7.42 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 112.128 0.418 . . . . 1.26 112.128 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.29 -45.68 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.119 0.485 . . . . 0.8 110.735 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -30.11 69.9 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.319 -0.401 . . . . 1.52 111.733 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.87 -23.18 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.302 0.572 . . . . 1.06 111.03 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.11 -24.41 47.51 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.107 -0.951 . . . . 2.19 111.684 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -114.56 4.14 15.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.711 0.291 . . . . 1.28 111.143 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 58.9 t30 56.5 73.81 0.43 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.526 -0.761 . . . . 1.84 110.132 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -78.92 94.82 5.29 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.231 -0.441 . . . . 1.28 111.265 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -98.25 141.21 22.58 Favored Pre-proline 0 N--CA 1.442 -0.827 0 N-CA-C 107.037 -1.468 . . . . 1.39 107.037 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.91 106.58 0.11 Allowed 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 121.889 1.726 . . . . 1.38 112.158 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.474 ' HB3' H5'' ' C' ' 12' ' ' ' DC' . 63.6 t30 -59.71 119.43 7.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.98 -0.554 . . . . 2.08 111.647 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -82.37 162.86 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.67 . . . . 3.44 109.783 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m 61.99 51.54 3.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.374 0.607 . . . . 1.9 110.4 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 179.12 -24.62 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 123.262 1.506 . . . . 1.21 108.294 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 50' ' ' ASN . 0.8 OUTLIER -88.45 -23.73 23.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.551 -1.204 . . . . 1.74 108.645 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -71.9 -40.13 69.07 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.168 -1.378 . . . . 3.28 109.68 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.573 ' HB3' ' H21' ' C' ' 11' ' ' ' DG' . 0.0 OUTLIER -74.96 -31.45 61.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.683 -1.144 . . . . 1.67 109.946 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.52 74.86 1.28 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 121.152 0.501 . . . . 2.13 110.614 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.48 -108.0 3.4 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 120.832 -0.699 . . . . 2.17 112.747 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -138.28 155.23 48.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.168 0.508 . . . . 6.14 111.312 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.19 119.55 14.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.191 -0.913 . . . . 6.69 110.111 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.19 149.04 33.79 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.112 -0.699 . . . . 6.61 109.112 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.978 -1.01 . . . . 8.78 111.151 -179.396 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' -1' ' ' ' DC' . . . . . 0.952 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 99.35 -2.393 . . . . 5.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.433 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.346 -2.395 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.644 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 99.725 -2.125 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.644 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.454 0.686 0 C3'-C2'-C1' 99.597 -2.217 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' ' DA' . . . . . 0.524 H2'' ' C8 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 C3'-C2'-C1' 99.2 -2.5 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.524 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.887 -2.009 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.426 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 100.083 -1.869 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 99.646 -2.182 . . . . 1.32 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 103.772 -2.116 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.436 H2'' ' C5 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.2 -2.5 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.436 ' C5 ' H2'' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.979 0 O4'-C1'-C2' 103.742 -2.143 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.579 H2'' ' C5 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.832 0 C3'-C2'-C1' 100.068 -1.88 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.58 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C3'-C2'-C1' 100.068 -1.88 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.515 " H1'" ' C8 ' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.025 0 C3'-C2'-C1' 98.825 -2.768 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.515 ' C8 ' " H1'" ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C3'-C2'-C1' 99.439 -2.329 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 103.819 -2.074 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.62 1.083 0 C3'-C2'-C1' 99.239 -2.472 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.453 0.616 0 C3'-C2'-C1' 99.856 -2.031 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.009 0 C3'-C2'-C1' 99.196 -2.503 . . . . 2.45 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.597 -0.828 0 C3'-C2'-C1' 99.034 -2.619 . . . . 2.44 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.438 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.136 0 C3'-C2'-C1' 99.086 -2.581 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.438 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.169 0 C3'-C2'-C1' 99.085 -2.582 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.597 -0.844 0 C3'-C2'-C1' 99.371 -2.378 . . . . 3.45 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.023 0 C4'-C3'-C2' 104.029 0.829 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.422 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C3'-C2'-C1' 99.424 -2.34 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.422 ' C8 ' H2'' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C4'-C3'-C2' 103.88 0.68 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.594 0 C3'-C2'-C1' 100.068 -1.88 . . . . 2.4 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.586 " H2'" ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.614 0.603 0 C3'-C2'-C1' 101.347 -0.966 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.586 ' C8 ' " H2'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.455 0.78 0 C3'-C2'-C1' 100.979 -1.23 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ' DC' . . . . . 0.512 " C2'" ' C8 ' ' D' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.733 0 O4'-C1'-N19 108.277 0.596 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . 0.512 ' C8 ' " C2'" ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-N19 109.039 1.549 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.664 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.241 1.037 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.664 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 100.628 -1.48 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 101.097 -1.145 . . . . 2.14 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.571 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.587 0 C3'-C2'-C1' 106.477 2.698 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.571 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.994 0 C3'-C2'-C1' 100.938 -1.259 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.49 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.519 -0.882 0 O4'-C4'-C3' 103.46 -2.14 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.65 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C4'-C3'-C2' 101.761 -1.439 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.65 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.41 -0.784 0 C4'-C3'-C2' 105.023 1.823 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.519 H2'' ' C5 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 100.989 -1.222 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.584 H2'' ' C6 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.534 0 N19-C1'-C2' 115.68 0.925 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 18' ' ' ' DT' . . . . . 0.584 ' C6 ' H2'' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 105.605 2.075 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.519 ' C8 ' " H2'" ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C1'-O4'-C4' 110.32 0.443 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ' DC' . . . . . 0.432 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 N19-C1'-C2' 115.757 0.973 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ' DC' . . . . . 0.432 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 N19-C1'-C2' 115.649 0.906 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' ' DG' . . . . . 0.952 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 C5'-C4'-C3' 115.74 0.693 . . . . 3.95 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 109.915 -0.402 . . . . 5.8 109.915 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.481 ' HD2' ' O ' ' A' ' 45' ' ' LEU . 69.2 mttt -81.17 135.95 50.43 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.835 -0.62 . . . . 5.24 110.252 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -72.91 50.43 1.77 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.874 2.383 . . . . 3.92 112.283 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 45' ' ' LEU . 2.7 t -101.9 131.07 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.566 0.698 . . . . 1.84 110.82 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -129.64 176.06 8.31 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.383 -0.826 . . . . 2.09 109.016 179.017 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 1.9 pp -49.97 -35.54 24.69 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.704 0.631 . . . . 1.21 112.704 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.458 ' N ' HD12 ' A' ' 6' ' ' LEU . 28.5 m-85 -64.36 -34.84 79.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.479 0.181 . . . . 1.86 111.482 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.6 -40.25 29.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.272 -0.422 . . . . 2.12 110.491 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' THR . 3.6 t -68.29 -35.16 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.082 0.468 . . . . 0.92 110.884 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.08 -54.44 46.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.434 -0.803 . . . . 1.02 111.544 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -64.27 -36.95 85.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.044 0.449 . . . . 2.45 110.69 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.417 ' CG ' HD11 ' A' ' 45' ' ' LEU . 50.6 t80 -63.45 -50.28 70.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.205 0.526 . . . . 1.78 110.692 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -73.41 -26.39 60.94 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.122 -0.631 . . . . 1.11 111.612 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.06 29.87 21.73 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.499 -0.858 . . . . 1.17 111.969 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 13' ' ' ALA . 6.4 m -132.06 -173.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 N-CA-C 109.729 -0.471 . . . . 1.08 109.729 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.7 p -73.98 164.13 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.971 0.415 . . . . 1.92 110.187 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.628 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 4.7 p90 -85.0 7.8 20.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.038 -0.528 . . . . 0.97 111.519 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -115.08 -10.75 12.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 120.455 -0.498 . . . . 2.23 111.503 -179.128 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -73.05 -42.52 63.03 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 117.818 0.281 . . . . 1.21 110.852 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.98 -35.03 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.165 0.507 . . . . 1.59 111.733 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -85.2 -14.89 45.44 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.786 -0.572 . . . . 1.6 110.776 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 14.9 tpt180 -70.46 -26.29 63.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.946 -0.57 . . . . 4.27 111.028 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.72 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 1.76 110.6 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.84 -22.67 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.637 -0.711 . . . . 1.87 112.369 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -77.16 -64.26 1.18 Allowed 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.541 -0.754 . . . . 1.67 112.04 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -146.07 -11.96 0.49 Allowed 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.862 0.69 . . . . 3.34 112.862 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.69 49.32 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.196 0.599 . . . . 1.9 111.623 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.51 -60.31 1.55 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.4 -0.818 . . . . 2.14 111.905 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -79.65 94.17 5.64 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 110.036 -0.357 . . . . 3.89 110.036 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.417 ' CG1' ' HG2' ' A' ' 35' ' ' ARG . 25.3 t -138.01 -31.21 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.619 -0.719 . . . . 1.55 111.064 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 3.6 t 63.94 5.13 2.22 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.808 0.843 . . . . 1.78 111.604 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.97 -43.03 0.55 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.476 0.71 . . . . 1.53 111.619 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' SER . 20.8 mtmt -58.61 -53.01 63.12 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 122.653 0.381 . . . . 4.2 111.252 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.61 60.08 6.02 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.396 0.517 . . . . 1.48 112.396 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HG2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -99.6 -48.67 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 3.46 111.54 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -39.57 71.49 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.519 -0.309 . . . . 2.64 111.808 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 123.654 0.596 . . . . 3.54 112.078 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.43 -45.28 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.875 0 N-CA-C 112.197 0.443 . . . . 1.84 112.197 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.69 -42.5 83.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.665 -0.698 . . . . 1.84 111.809 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.01 63.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.632 -0.713 . . . . 1.25 111.218 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -51.71 64.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.923 -0.58 . . . . 1.09 112.403 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.0 ptp -65.16 -26.88 68.36 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.729 0.64 . . . . 1.44 112.729 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -43.12 14.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.403 0.52 . . . . 1.39 112.403 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.11 -42.99 99.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.404 0.89 . . . . 2.08 113.404 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 4' ' ' VAL . 96.0 mt -89.09 -11.39 44.16 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.642 0.608 . . . . 1.19 112.642 -177.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 2.8 t-20 68.13 97.03 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.071 -1.085 . . . . 2.04 108.071 -177.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.525 ' CE2' ' HG3' ' A' ' 49' ' ' PRO . 13.8 t80 -131.6 134.33 45.92 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.063 -0.517 . . . . 1.77 111.995 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.25 104.66 43.09 Favored Pre-proline 0 N--CA 1.456 -0.132 0 N-CA-C 108.431 -0.952 . . . . 2.03 108.431 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 81.7 Cg_exo -58.57 4.22 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 124.231 3.287 . . . . 0.92 115.728 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.772 ' HB2' ' OP1' ' D' ' 13' ' ' ' DC' . 0.9 OUTLIER 68.13 168.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.323 1.058 . . . . 1.55 113.58 177.623 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.58 -16.87 1.76 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.236 -1.347 . . . . 3.53 109.098 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.629 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -99.44 -51.25 3.83 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.233 -0.894 . . . . 1.65 112.632 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.32 64.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.029 0.442 . . . . 0.97 111.932 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.546 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 93.9 mt-30 -71.67 8.02 1.28 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.557 -0.747 . . . . 1.67 112.088 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -128.72 22.28 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.872 0.367 . . . . 2.12 111.245 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 tp -110.61 -4.17 15.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.083 -0.508 . . . . 1.44 110.965 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.59 ' HB2' ' H21' ' C' ' 9' ' ' ' DG' . . . -126.95 12.2 7.21 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.281 -0.567 . . . . 1.86 112.341 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.64 83.9 1.6 Allowed Glycine 0 C--N 1.315 -0.597 0 N-CA-C 111.666 -0.574 . . . . 2.76 111.666 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' HE3' H5'' ' C' ' 10' ' ' ' DC' . 46.0 mttp -73.31 -35.11 66.03 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.665 0.269 . . . . 7.16 110.695 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.37 112.36 22.24 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.943 -0.571 . . . . 6.41 110.904 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -23.6 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.48 -0.782 . . . . 6.96 110.832 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.779 -0.646 . . . . 8.8 109.514 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.0 mtp . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 121.245 0.545 . . . . 7.51 110.557 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 103.37 39.69 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.525 -0.761 . . . . 7.83 110.855 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.97 157.03 43.14 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.017 2.478 . . . . 3.05 113.459 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p -131.93 146.53 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 107.929 -1.137 . . . . 1.95 107.929 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.495 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 47.9 p -133.1 168.57 18.26 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 123.633 0.583 . . . . 1.74 109.684 -178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.449 ' HA ' HD23 ' B' ' 6' ' ' LEU . 1.4 mt -75.25 -14.1 60.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.834 0.826 . . . . 1.27 109.053 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.82 -33.64 45.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.958 -1.019 . . . . 1.15 108.816 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.0 -39.68 93.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.058 -0.974 . . . . 1.81 110.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.26 -43.4 97.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.386 -1.279 . . . . 1.6 110.424 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.16 -24.07 62.18 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.768 0.794 . . . . 1.22 110.652 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.16 -53.72 11.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.705 -1.134 . . . . 2.73 110.558 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -62.74 -50.21 71.97 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.447 0.536 . . . . 1.71 112.447 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.409 ' HB2' ' HA ' ' B' ' 38' ' ' VAL . . . -67.68 -15.36 63.6 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 113.53 0.937 . . . . 1.21 113.53 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.6 41.24 44.28 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 111.292 -0.723 . . . . 1.53 111.292 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.27 -174.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.318 0.247 . . . . 1.79 110.577 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' B' ' 18' ' ' GLN . 0.8 OUTLIER -110.11 172.28 6.96 Favored 'General case' 0 N--CA 1.426 -1.634 0 O-C-N 123.87 0.731 . . . . 2.16 109.695 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -77.24 61.52 2.13 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.756 0.822 . . . . 2.19 109.525 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.42 ' H ' ' H ' ' B' ' 19' ' ' THR . 1.0 OUTLIER -161.56 -23.05 0.05 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.905 -1.146 . . . . 3.17 107.905 178.589 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . 0.42 ' H ' ' H ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -94.78 -15.06 24.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.796 -1.093 . . . . 1.41 109.036 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 m -88.01 -22.65 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 113.161 0.8 . . . . 1.62 113.161 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.8 -60.74 2.25 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.145 -0.934 . . . . 1.86 109.55 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.427 ' HD2' HG22 ' B' ' 30' ' ' VAL . 16.4 ptt180 -59.24 -18.96 41.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.254 0.835 . . . . 5.24 113.254 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.655 HG21 ' HB ' ' B' ' 38' ' ' VAL . 1.4 p -78.6 -14.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.317 -0.553 . . . . 1.77 110.833 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.99 -69.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 123.455 0.472 . . . . 1.97 111.185 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -152.71 27.04 0.56 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.968 0.413 . . . . 3.75 110.698 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -138.46 46.01 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.485 0.66 . . . . 4.82 110.566 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.99 88.11 4.43 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.741 -1.118 . . . . 2.56 110.754 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.9 p -77.59 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.41 -0.359 . . . . 3.78 110.373 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -123.95 43.16 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.368 -0.234 . . . . 2.69 110.368 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' VAL . . . . . 0.427 HG22 ' HD2' ' B' ' 22' ' ' ARG . 14.9 t -80.24 138.46 19.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.604 -0.517 . . . . 1.52 109.604 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.4 t -61.1 117.5 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.317 0.385 . . . . 1.85 110.407 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -25.55 50.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.845 -0.616 . . . . 1.48 112.087 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 93.6 mttt -59.39 -53.86 53.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.514 0.673 . . . . 3.68 111.114 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.547 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.3 OUTLIER -80.17 -26.4 39.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 1.81 111.882 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -31.01 71.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 3.48 111.583 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 4.2 pt-20 -77.94 -26.8 49.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.248 -0.282 . . . . 1.96 110.468 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -73.51 -40.24 64.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.911 0.386 . . . . 2.82 110.665 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.655 ' HB ' HG21 ' B' ' 23' ' ' VAL . 2.2 t -67.68 -35.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 119.987 -0.685 . . . . 1.43 109.281 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.65 -40.12 80.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.76 -0.459 . . . . 2.27 109.76 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.73 86.34 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.164 -0.68 . . . . 1.26 109.164 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.8 95.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.091 0.472 . . . . 0.8 110.948 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.9 mtm -63.07 -38.79 92.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 1.52 111.252 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.07 -36.18 66.81 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.488 0.492 . . . . 1.06 111.283 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.43 -48.34 56.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.277 -0.42 . . . . 2.19 111.532 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.22 -2.92 58.57 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.105 0.409 . . . . 1.28 112.105 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.06 52.67 5.0 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.703 0.763 . . . . 1.84 109.451 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -75.64 103.99 5.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.317 -0.856 . . . . 1.28 110.973 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mt -116.37 131.84 23.62 Favored Pre-proline 0 C--N 1.315 -0.898 0 N-CA-C 107.62 -1.252 . . . . 1.39 107.62 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -30.32 105.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.197 3.265 . . . . 1.38 113.302 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASN . . . . . 0.476 ' HB3' H5'' ' C' ' 12' ' ' ' DC' . 36.6 t30 -63.39 136.44 57.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.263 -0.88 . . . . 2.08 111.553 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.9 179.48 7.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.589 -0.732 . . . . 3.44 109.771 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.0 m 56.33 36.54 27.67 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 122.259 1.028 . . . . 1.9 109.983 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.431 ' H ' ' H ' ' B' ' 54' ' ' GLN . . . -168.27 -18.02 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 113.902 -1.499 . . . . 1.21 110.722 -178.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' GLN . . . . . 0.431 ' H ' ' H ' ' B' ' 53' ' ' ALA . 6.4 mm-40 -85.85 -32.28 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.516 -0.766 . . . . 1.74 109.451 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' GLN . . . . . 0.446 HE21 ' HB3' ' B' ' 55' ' ' GLN . 0.0 OUTLIER -82.83 -27.49 30.83 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.807 -0.812 . . . . 3.28 108.807 179.385 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.545 ' HG ' ' O2 ' ' D' ' 11' ' ' ' DC' . 13.4 tp -81.64 -45.68 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.541 -1.209 . . . . 1.67 110.693 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.22 108.49 19.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.394 0.616 . . . . 2.13 110.687 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.91 -48.39 0.48 Allowed Glycine 0 C--N 1.314 -0.668 0 C-N-CA 119.885 -1.15 . . . . 2.17 111.79 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -71.22 92.62 1.02 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.726 -0.237 . . . . 6.14 111.347 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.65 -33.12 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.742 . . . . 6.69 110.083 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -102.96 108.81 20.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.206 -0.906 . . . . 6.61 109.095 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.595 -0.729 . . . . 8.78 110.686 -179.393 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' -1' ' ' ' DC' . . . . . 0.968 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.048 0 C3'-C2'-C1' 99.496 -2.289 . . . . 5.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.609 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.895 0 C3'-C2'-C1' 99.674 -2.161 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.609 ' C8 ' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-C2' 103.64 -2.236 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.649 " H1'" ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.512 -0.624 0 C3'-C2'-C1' 99.602 -2.213 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' ' DA' . . . . . 0.649 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 103.463 -2.397 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.639 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.133 0 O4'-C1'-C2' 103.983 -1.924 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.792 0 O4'-C1'-C2' 103.908 -1.993 . . . . 1.56 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . 0.459 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.843 0 C3'-C2'-C1' 99.573 -2.233 . . . . 1.32 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.459 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.02 0 C3'-C2'-C1' 99.754 -2.105 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.59 ' H21' ' HB2' ' A' ' 57' ' ' ALA . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.137 -2.545 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.591 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.751 0 O4'-C1'-C2' 103.967 -1.939 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.591 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.961 0 C3'-C2'-C1' 99.606 -2.21 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.495 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.512 -0.611 0 C3'-C2'-C1' 99.519 -2.272 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.331 0 C3'-C2'-C1' 98.935 -2.689 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C3'-C2'-C1' 98.998 -2.644 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.155 0 O4'-C1'-C2' 104.171 -1.753 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C3'-C2'-C1' 99.384 -2.369 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.529 -2.265 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.902 0 C3'-C2'-C1' 99.68 -2.157 . . . . 2.45 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.415 ' C8 ' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 99.56 -2.243 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.415 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.906 0 C3'-C2'-C1' 99.358 -2.387 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.035 -2.618 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.002 0 C3'-C2'-C1' 99.263 -2.455 . . . . 3.45 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.528 0.953 0 C1'-O4'-C4' 107.378 -1.659 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C3'-C2'-C1' 101.005 -1.211 . . . . 3.79 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.513 " H2'" ' H71' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C4'-C3'-C2' 103.775 0.575 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.652 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 99.252 -2.463 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.652 ' C7 ' H2'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 104.839 -1.146 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.419 " H5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 101.454 -0.89 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O5'-P-OP2 109.493 0.442 . . . . 1.84 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.411 -0.656 0 C3'-C2'-C1' 100.877 -1.302 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.753 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.886 0 C3'-C2'-C1' 104.664 1.403 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.753 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 C3'-C2'-C1' 100.766 -1.381 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . 0.465 " H5'" H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.818 0 O4'-C1'-C2' 104.579 -1.382 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.545 ' O2 ' ' HG ' ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C3'-C2'-C1' 104.443 1.245 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.538 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 111.072 0.98 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.772 ' OP1' ' HB2' ' A' ' 50' ' ' ASN . . . . . . . . 0 C4'--C3' 1.518 -0.964 0 O4'-C4'-C3' 102.814 -2.786 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.725 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.426 0.474 0 O4'-C4'-C3' 104.513 -1.087 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.725 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 104.983 1.63 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.623 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 N19-C1'-C2' 115.78 0.987 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.516 ' C5 ' H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 106.617 0.47 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 18' ' ' ' DT' . . . . . 0.511 ' H71' H2'' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C4'-C3'-C2' 104.161 0.961 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.434 ' C8 ' H2'' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.526 0.834 0 C1'-O4'-C4' 106.526 -2.267 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ' DC' . . . . . 0.402 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.412 -0.635 0 O4'-C1'-C2' 104.98 -1.018 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ' DC' . . . . . 0.402 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 104.049 0.849 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' ' DG' . . . . . 0.968 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.411 -0.73 0 C4'-C3'-C2' 104.633 1.433 . . . . 3.95 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.574 ' SD ' ' HG2' ' A' ' 2' ' ' LYS . 4.7 ppp? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.552 0.215 . . . . 5.8 110.65 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.574 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 36.4 mmtt -91.61 141.27 25.62 Favored Pre-proline 0 N--CA 1.453 -0.286 0 N-CA-C 109.922 -0.399 . . . . 5.24 109.922 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 7.1 Cg_exo -71.5 62.74 2.87 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.551 2.168 . . . . 3.92 112.701 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 45' ' ' LEU . 34.6 m -62.4 149.0 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 115.952 -0.567 . . . . 1.84 111.311 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.472 ' HB ' " H3'" ' D' ' 12' ' ' ' DG' . 0.0 OUTLIER -96.61 169.48 9.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.173 -0.467 . . . . 2.09 110.85 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -46.07 -26.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.39 0.676 . . . . 1.21 112.428 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -62.49 -40.93 98.27 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.704 0.288 . . . . 1.86 111.265 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.61 -35.08 62.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.208 0.528 . . . . 2.12 110.682 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.16 -37.3 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.236 -0.893 . . . . 0.92 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -53.24 60.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.502 -0.772 . . . . 1.02 110.846 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -62.09 -44.9 95.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 2.45 110.425 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -58.23 -38.82 77.59 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.887 -1.052 . . . . 1.78 111.804 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.83 -15.02 28.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 1.11 111.863 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.25 31.08 32.18 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 120.558 -0.829 . . . . 1.17 113.538 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.07 -164.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.346 -0.613 . . . . 1.08 109.346 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.489 ' HB3' " H2'" ' C' ' 5' ' ' ' DG' . 95.7 p -89.32 170.45 10.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.535 -0.542 . . . . 1.92 109.535 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.543 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 26.0 p90 -82.4 22.3 0.86 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.085 -0.507 . . . . 0.97 111.009 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -117.8 -32.7 4.74 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.641 -0.709 . . . . 2.23 109.944 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -37.95 81.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.591 0.71 . . . . 1.21 109.407 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.32 -31.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.138 -0.937 . . . . 1.59 112.15 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -81.71 -19.82 40.71 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.702 0.763 . . . . 1.6 109.93 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -60.81 -34.74 74.98 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.155 -0.929 . . . . 4.27 111.364 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 47.8 t -73.75 -56.33 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 115.627 -0.715 . . . . 1.76 111.4 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -19.98 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 113.297 0.851 . . . . 1.87 113.297 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -96.01 -57.88 2.24 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.747 0.647 . . . . 1.67 112.747 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -104.79 -54.59 2.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.228 0.455 . . . . 3.34 112.228 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . 64.5 38.04 7.69 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.821 -0.627 . . . . 1.9 110.757 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -108.69 -75.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.05 0.452 . . . . 2.14 110.779 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -109.43 78.66 1.15 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.972 -0.558 . . . . 3.89 110.846 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 32' ' ' ALA . 20.7 t -93.89 58.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 1.55 109.96 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t 64.81 -18.67 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.531 -0.759 . . . . 1.78 112.774 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.52 -49.27 0.69 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.732 0.813 . . . . 1.53 111.105 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -88.89 -4.8 58.36 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.4 -0.364 . . . . 4.2 110.363 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.608 HG23 ' HE2' ' A' ' 37' ' ' LYS . 1.1 m -133.74 45.72 2.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.516 0.674 . . . . 1.48 111.408 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -102.35 -42.56 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.275 0.56 . . . . 3.46 110.217 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -39.5 77.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.716 -0.675 . . . . 2.64 110.312 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.608 ' HE2' HG23 ' A' ' 34' ' ' THR . 12.0 mtmm -58.2 -43.65 87.71 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.497 -0.774 . . . . 3.54 112.783 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -74.59 -33.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.801 0.297 . . . . 1.84 111.801 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.0 -40.57 83.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.303 0.573 . . . . 1.84 110.136 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.3 -39.85 71.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.606 . . . . 1.25 110.577 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.12 97.3 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.941 -0.572 . . . . 1.09 111.531 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ptm -65.27 -35.45 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.864 -0.334 . . . . 1.44 111.535 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.74 63.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.683 0.277 . . . . 1.39 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.68 -49.55 74.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.397 0.618 . . . . 2.08 112.002 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB3' HG21 ' A' ' 4' ' ' VAL . 53.4 mt -86.2 2.6 46.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.369 -0.832 . . . . 1.19 112.138 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t30 57.03 36.99 28.46 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.582 0.706 . . . . 2.04 109.188 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 33.0 t80 -66.85 142.14 57.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.83 -0.623 . . . . 1.77 110.848 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.91 110.75 13.18 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.991 -1.004 . . . . 2.03 109.89 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -55.36 0.58 0.12 Allowed 'Trans proline' 0 N--CA 1.484 0.961 0 C-N-CA 123.047 2.498 . . . . 0.92 115.659 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 58.81 -168.34 0.14 Allowed 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.086 0.469 . . . . 1.55 111.604 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -148.49 -35.7 0.2 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.411 0.624 . . . . 3.53 109.775 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' ' CA ' ' B' ' 52' ' ' CYS . 63.6 m -64.28 -49.47 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.548 -0.751 . . . . 1.65 111.504 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.58 75.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.913 -0.585 . . . . 0.97 111.49 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 84.3 mt-30 -62.56 -20.88 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 1.67 112.536 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.26 15.39 22.37 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.26 0.553 . . . . 2.12 111.064 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.738 HD22 HD23 ' B' ' 56' ' ' LEU . 4.8 tp -106.67 -29.11 9.79 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.735 -0.469 . . . . 1.44 109.735 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -64.55 0.84 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.801 0.667 . . . . 1.86 112.801 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.75 90.66 0.22 Allowed Glycine 0 C--O 1.223 -0.592 0 C-N-CA 120.127 -1.035 . . . . 2.76 113.035 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.539 ' HA ' H5'' ' D' ' 15' ' ' ' DC' . 68.0 mttm -87.21 17.48 4.29 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.091 0.472 . . . . 7.16 110.945 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -130.71 159.93 35.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 6.41 109.828 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -70.58 117.35 11.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.769 0.795 . . . . 6.96 111.756 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 114.748 -1.115 . . . . 8.8 110.238 -179.399 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.457 -0.09 0 N-CA-C 110.245 -0.28 . . . . 7.51 110.245 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -123.58 96.87 42.86 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.286 -0.415 . . . . 7.83 109.969 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.27 125.46 7.81 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.243 1.962 . . . . 3.05 111.751 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -92.62 148.74 4.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.683 -0.69 . . . . 1.95 109.69 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' THR . . . . . 0.559 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 62.3 p -144.95 172.2 13.38 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.035 -1.098 . . . . 1.74 108.035 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 6' ' ' LEU . 14.2 mt -71.58 -13.41 61.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.277 0.56 . . . . 1.27 110.643 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -83.49 -34.16 25.42 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.237 0.542 . . . . 1.15 109.924 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.72 -44.93 69.33 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.7 -0.682 . . . . 1.81 110.544 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 5' ' ' THR . 19.7 t -59.95 -36.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.838 -1.074 . . . . 1.6 110.499 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.44 72.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.065 -0.516 . . . . 1.22 111.72 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.69 -51.24 65.94 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.464 -0.789 . . . . 2.73 109.645 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.18 -39.03 88.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.521 -0.763 . . . . 1.71 111.061 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.515 ' O ' ' HE2' ' B' ' 37' ' ' LYS . . . -69.97 -20.76 63.29 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.518 0.511 . . . . 1.21 111.679 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.98 71.71 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 121.289 -0.481 . . . . 1.53 113.009 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -137.48 178.99 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 122.551 -0.382 . . . . 1.79 110.13 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -91.5 177.72 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.861 0.839 . . . . 2.16 110.778 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -76.82 113.17 14.19 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.661 -0.7 . . . . 2.19 109.338 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 158.15 -58.8 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.65 1.18 . . . . 3.17 108.938 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -34.11 76.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.354 -0.839 . . . . 1.41 112.125 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.527 ' O ' HG12 ' B' ' 23' ' ' VAL . 18.4 t -77.68 -39.06 26.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.787 0.662 . . . . 1.62 112.787 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -25.25 60.49 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.491 0.552 . . . . 1.86 112.491 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.88 -25.13 28.17 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 112.108 0.41 . . . . 5.24 112.108 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.527 HG12 ' O ' ' B' ' 20' ' ' VAL . 4.4 p -69.52 -24.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.657 -0.417 . . . . 1.77 111.178 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.21 -3.22 10.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 1.97 109.536 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -117.01 -73.88 0.63 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.545 -0.298 . . . . 3.75 111.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -165.09 77.39 0.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.294 0.569 . . . . 4.82 110.699 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.56 96.4 9.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.415 -0.811 . . . . 2.56 110.404 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.3 m -112.23 -41.48 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.731 -0.668 . . . . 3.78 110.257 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.99 32.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 2.69 111.519 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 t -118.46 144.99 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.189 -0.46 . . . . 1.52 109.768 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -65.76 -112.89 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.41 0.624 . . . . 1.85 112.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.63 -55.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.053 -0.404 . . . . 1.48 110.728 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -50.57 -41.98 54.99 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.769 0.668 . . . . 3.68 112.78 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -19.48 35.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.078 0.466 . . . . 1.81 111.615 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -73.51 -38.44 65.33 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.785 -0.643 . . . . 3.48 111.748 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -73.5 -31.18 63.59 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.48 -0.327 . . . . 1.96 110.92 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LYS . . . . . 0.515 ' HE2' ' O ' ' B' ' 13' ' ' ALA . 49.2 mtpt -64.86 -42.49 94.82 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 122.282 -0.261 . . . . 2.82 110.789 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.31 -31.33 38.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 120.531 -0.467 . . . . 1.43 110.888 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.53 -48.43 77.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.382 -0.969 . . . . 2.27 108.382 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.93 91.97 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.417 -0.81 . . . . 1.26 110.655 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' B' ' 13' ' ' ALA . . . -60.93 -51.54 68.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.954 -0.567 . . . . 0.8 111.838 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -66.23 -29.11 69.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 121.189 -0.204 . . . . 1.52 111.281 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.03 -40.07 32.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.586 -0.279 . . . . 1.06 111.081 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.23 -51.23 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 2.19 110.782 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -85.23 -2.83 58.48 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.658 -0.247 . . . . 1.28 111.285 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 54.82 64.28 1.86 Allowed 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.734 -0.666 . . . . 1.84 110.349 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -68.11 126.58 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.641 0.734 . . . . 1.28 112.396 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 mt -129.65 125.29 22.25 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.949 -1.023 . . . . 1.39 108.25 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 49' ' ' PRO . . . . . 0.474 ' HB2' HD22 ' B' ' 62' ' ' LEU . 32.5 Cg_exo -54.74 95.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.667 2.245 . . . . 1.38 110.954 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -78.48 142.33 37.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.637 -1.165 . . . . 2.08 111.556 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -83.03 -163.17 0.69 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.796 -1.187 . . . . 3.44 107.796 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' CYS . . . . . 0.41 ' CA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m 55.61 48.4 18.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.011 1.386 . . . . 1.9 108.564 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 172.7 -13.1 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.046 -1.888 . . . . 1.21 109.402 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.87 -51.59 5.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.629 -0.714 . . . . 1.74 109.083 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -66.58 -37.29 84.61 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.062 -1.088 . . . . 3.28 108.062 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.738 HD23 HD22 ' A' ' 56' ' ' LEU . 17.2 tp -65.35 -37.14 86.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.651 -1.159 . . . . 1.67 110.325 177.671 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ALA . . . . . 0.657 ' HB1' ' H21' ' D' ' 10' ' ' ' DG' . . . -69.72 -29.91 67.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 2.13 110.031 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.39 -64.18 0.61 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.724 -0.75 . . . . 2.17 112.766 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -107.53 146.43 31.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.797 0.299 . . . . 6.14 110.288 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' B' ' 60' ' ' GLN . 3.6 mt-30 -102.8 105.89 16.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.791 0.329 . . . . 6.69 111.171 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.27 1.73 23.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.772 -0.649 . . . . 6.61 111.554 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' B' ' 49' ' ' PRO . 2.2 tp . . . . . 0 C--O 1.246 0.902 0 N-CA-C 108.872 -0.788 . . . . 8.78 108.872 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' -1' ' ' ' DC' . . . . . 0.973 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.201 0 C3'-C2'-C1' 99.175 -2.518 . . . . 5.31 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.777 0 C3'-C2'-C1' 99.647 -2.181 . . . . 4.68 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.637 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 103.713 -2.17 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.637 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 98.901 -2.714 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' ' DA' . . . . . 0.632 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.457 0.978 0 C3'-C2'-C1' 99.084 -2.583 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.489 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 C2'--C1' 1.509 -0.845 0 O4'-C1'-C2' 103.912 -1.989 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.421 ' H72' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.771 0 C3'-C2'-C1' 99.549 -2.251 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.813 -2.062 . . . . 1.32 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.533 H2'' ' C8 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.927 0 C3'-C2'-C1' 99.738 -2.116 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.533 ' C8 ' H2'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.072 0 C3'-C2'-C1' 99.152 -2.534 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.437 ' C4 ' ' C4 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 C3'-C2'-C1' 99.7 -2.143 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.572 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-C2' 103.855 -2.041 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.559 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.506 -1.1 0 C3'-C2'-C1' 99.373 -2.376 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . 0.406 ' N7 ' ' C2 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.691 0 C3'-C2'-C1' 99.256 -2.46 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 C3'-C2'-C1' 99.347 -2.395 . . . . 1.31 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.81 0 O4'-C1'-C2' 103.582 -2.289 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 C3'-C2'-C1' 99.534 -2.261 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C3'-C2'-C1' 99.553 -2.248 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -1.408 0 C3'-C2'-C1' 98.555 -2.961 . . . . 2.45 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.469 H2'' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 P--O3' 1.593 -1.148 0 C3'-C2'-C1' 99.541 -2.256 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.469 ' C6 ' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.008 0 C3'-C2'-C1' 99.378 -2.373 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 99.074 -2.59 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.955 0 C3'-C2'-C1' 99.563 -2.241 . . . . 3.45 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.617 0.655 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C3'-C2'-C1' 101.305 -0.997 . . . . 3.79 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.609 " H2'" ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-C2' 107.352 1.138 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.621 " H2'" ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 100.47 -1.593 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.621 ' H72' " H2'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C4'-C3'-C2' 104.038 0.838 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.453 H2'' ' C5 ' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C3'-C2'-C1' 101.451 -0.892 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ' DC' . . . . . 0.932 H2'' " O5'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C3'-C2'-C1' 105.604 2.075 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . 0.932 " O5'" H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 C3'-C2'-C1' 101.502 -0.856 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.543 H2'' " O4'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C4'-C3' 103.828 -1.772 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.543 " O4'" H2'' ' D' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 C3'-C2'-C1' 100.939 -1.258 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . 0.657 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 C2'--C1' 1.51 -0.752 0 C3'-C2'-C1' 101.344 -0.968 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 105.296 1.854 . . . . 2.16 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.472 " H3'" ' HB ' ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 C4'-C3'-C2' 102.198 -1.002 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.612 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.536 1.044 0 C3'-C2'-C1' 104.851 1.537 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.612 ' C6 ' " H2'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C3'-C2'-C1' 106.037 2.384 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.539 H5'' ' HA ' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-C2' 104.903 1.703 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.661 H2'' " O5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 105.735 2.168 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.661 " O5'" H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 101.139 -1.115 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 18' ' ' ' DT' . . . . . 0.471 " C2'" ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.809 0 C3'-C2'-C1' 105.612 2.08 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.471 ' C8 ' " C2'" ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C4'-C3'-C2' 104.456 1.256 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ' DC' . . . . . 0.495 " H1'" " O4'" ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 105.255 1.825 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ' DC' . . . . . 0.495 " O4'" " H1'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.525 0.689 0 C4'-C3'-C2' 104.903 1.703 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' ' DG' . . . . . 0.973 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.96 0 C4'-C3'-C2' 104.738 1.538 . . . . 3.95 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.026 0.441 . . . . 5.8 110.098 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -126.06 153.09 73.99 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.364 -0.834 . . . . 5.24 109.304 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -70.05 82.71 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.194 1.929 . . . . 3.92 111.066 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.4 -177.68 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 CA-C-N 115.113 -0.949 . . . . 1.84 110.29 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -139.47 -173.82 3.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.077 -0.965 . . . . 2.09 109.7 -178.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.832 HD13 ' HB2' ' A' ' 17' ' ' TYR . 2.2 pp -53.28 -21.54 5.64 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.646 0.609 . . . . 1.21 112.646 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.591 ' HD1' HD12 ' A' ' 6' ' ' LEU . 2.7 m-30 -66.17 -29.93 70.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 1.86 110.617 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -94.58 -45.78 7.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.251 0.548 . . . . 2.12 111.226 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.77 -34.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.401 -0.818 . . . . 0.92 111.85 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.85 74.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.531 -0.304 . . . . 1.02 111.234 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -65.25 -47.72 75.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.081 -0.509 . . . . 2.45 111.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -61.49 -38.44 87.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 1.78 111.267 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.94 -17.79 42.34 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.396 0.887 . . . . 1.11 113.396 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 31.38 58.94 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.922 -0.656 . . . . 1.17 113.894 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -138.89 173.97 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.764 -0.458 . . . . 1.08 109.764 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 p -73.28 170.68 14.52 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.051 -0.722 . . . . 1.92 109.051 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.832 ' HB2' HD13 ' A' ' 6' ' ' LEU . 5.2 p90 -75.92 -13.06 60.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.344 -0.542 . . . . 0.97 110.7 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.529 HE22 ' N6 ' ' D' ' 16' ' ' ' DA' . 1.7 tt0 -69.27 -33.29 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 2.23 109.964 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -34.24 77.66 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.89 -0.596 . . . . 1.21 110.299 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.25 -38.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.573 -0.899 . . . . 1.59 108.573 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.1 m -63.12 -24.26 67.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.371 -0.831 . . . . 1.6 110.421 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -71.63 -51.87 20.96 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.411 0.523 . . . . 4.27 112.411 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -64.51 -27.31 42.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 112.829 0.677 . . . . 1.76 112.829 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 m -84.48 -29.5 7.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 O-C-N 121.781 -0.574 . . . . 1.87 110.685 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.46 -69.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.652 -0.249 . . . . 1.67 110.978 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -143.97 -12.11 0.65 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.761 0.652 . . . . 3.34 112.761 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.68 54.64 6.15 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.96 0.409 . . . . 1.9 110.946 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -82.8 0.32 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.39 0.614 . . . . 2.14 112.59 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -92.79 67.29 4.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.665 -0.414 . . . . 3.89 111.772 -177.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 32' ' ' ALA . 1.9 t -101.43 37.75 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.464 -0.334 . . . . 1.55 111.27 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m 70.08 -25.89 0.16 Allowed 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.82 0.7 . . . . 1.78 112.081 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 77.7 -6.32 2.0 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.992 0.917 . . . . 1.53 110.688 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.27 7.36 4.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.287 0.565 . . . . 4.2 110.065 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.74 27.11 4.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.661 0.743 . . . . 1.48 109.584 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -93.54 -40.52 10.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.582 -0.735 . . . . 3.46 109.899 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -25.58 62.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.908 -0.775 . . . . 2.64 108.908 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -54.42 45.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.302 -1.317 . . . . 3.54 111.874 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -76.35 -28.16 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.636 -0.711 . . . . 1.84 112.163 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 42' ' ' MET . 25.3 mt-10 -68.12 -43.45 78.35 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.944 -0.473 . . . . 1.84 111.152 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.39 95.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 1.25 110.266 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.99 3.51 12.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.147 0.499 . . . . 1.09 111.601 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.48 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 15.3 ttp -88.49 -59.27 2.28 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.885 -1.154 . . . . 1.44 107.885 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.12 62.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.037 -0.529 . . . . 1.39 111.857 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.7 -48.73 73.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.601 0.963 . . . . 2.08 113.601 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.94 -7.34 49.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.568 0.167 . . . . 1.19 111.278 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 76.94 54.28 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 123.41 1.576 . . . . 2.04 109.586 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 5.4 t80 -74.24 122.48 22.9 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.996 -1.456 . . . . 1.77 110.816 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.8 mm -114.32 102.65 54.97 Favored Pre-proline 0 N--CA 1.468 0.452 0 C-N-CA 123.914 0.886 . . . . 2.03 110.812 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.87 34.38 0.32 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.258 2.639 . . . . 0.92 113.466 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.46 HD22 ' HD3' ' B' ' 59' ' ' LYS . 23.9 m120 49.56 -168.72 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.308 0.855 . . . . 1.55 113.308 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 51' ' ' ARG . 5.5 tpp180 -94.89 -66.93 0.88 Allowed 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 121.676 -0.64 . . . . 3.53 110.911 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.14 42.96 2.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.737 0.78 . . . . 1.65 112.169 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -19.17 64.73 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.541 -1.209 . . . . 0.97 111.45 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -81.59 -7.28 59.57 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.584 -0.735 . . . . 1.67 111.754 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -93.05 33.8 1.15 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.592 -0.443 . . . . 2.12 111.013 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.578 HD22 HD23 ' B' ' 56' ' ' LEU . 9.3 tp -129.73 3.6 4.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.805 0.812 . . . . 1.44 110.419 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.45 2.98 6.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.046 -0.979 . . . . 1.86 109.512 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.88 121.16 6.64 Favored Glycine 0 CA--C 1.5 -0.88 0 C-N-CA 120.193 -1.003 . . . . 2.76 110.695 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -105.47 134.72 48.11 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 109.443 -0.577 . . . . 7.16 109.443 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -15.48 50.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.698 0.285 . . . . 6.41 111.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.81 49.2 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.977 -0.556 . . . . 6.96 110.878 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.547 ' H ' HD23 ' A' ' 62' ' ' LEU . 1.7 pt? . . . . . 0 C--O 1.237 0.403 0 CA-C-N 115.967 -0.561 . . . . 8.8 110.279 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 109.283 -0.636 . . . . 7.51 109.283 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.437 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 2.0 mptp? -98.88 -54.4 0.19 Allowed Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.13 -0.941 . . . . 7.83 110.5 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 3' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 95.0 Cg_endo -85.13 174.4 7.22 Favored 'Trans proline' 0 C--N 1.363 1.305 0 C-N-CA 121.775 1.65 . . . . 3.05 112.048 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.35 136.51 46.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 108.823 -0.806 . . . . 1.95 108.823 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.9 p -68.65 164.13 22.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.535 0.939 . . . . 1.74 113.535 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.61 -17.46 61.68 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.423 -0.808 . . . . 1.27 109.796 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.03 -41.33 70.96 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.225 0.536 . . . . 1.15 109.931 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.46 -60.29 3.76 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 115.321 -0.854 . . . . 1.81 110.362 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.449 HG11 ' HB2' ' B' ' 47' ' ' TYR . 12.5 m -56.05 -26.16 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 116.051 -0.522 . . . . 1.6 111.152 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ALA . . . . . 0.418 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -74.79 -41.2 60.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.632 0.729 . . . . 1.22 110.499 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.63 -50.17 65.99 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.417 -0.811 . . . . 2.73 111.661 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' B' ' 44' ' ' GLU . 36.0 t80 -62.98 -27.19 69.24 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.927 -0.579 . . . . 1.71 110.665 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ALA . . . . . 0.538 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -78.77 -14.59 59.19 Favored 'General case' 0 C--O 1.244 0.776 0 O-C-N 121.064 -1.022 . . . . 1.21 113.459 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.21 31.85 63.42 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.365 -0.922 . . . . 1.53 111.028 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' B' ' 13' ' ' ALA . 27.7 m -131.77 -169.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.02 -0.363 . . . . 1.79 110.02 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -108.84 169.97 8.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.332 0.587 . . . . 2.16 112.231 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -78.75 65.14 3.91 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.069 0.938 . . . . 2.19 109.399 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLN . . . . . 0.521 ' O ' ' HD2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -167.14 -38.45 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 113.808 -1.542 . . . . 3.17 109.376 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -30.15 62.42 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.438 -0.801 . . . . 1.41 110.676 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' VAL . . . . . 0.441 ' HA ' HG11 ' B' ' 38' ' ' VAL . 18.1 t -61.9 -61.81 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 113.9 -1.5 . . . . 1.62 111.265 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -61.47 -50.73 71.6 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.104 -0.638 . . . . 1.86 111.474 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -49.84 -46.5 51.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.899 0.703 . . . . 5.24 112.899 -177.748 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -11.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 114.561 1.319 . . . . 1.77 114.561 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.82 -62.63 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 120.842 0.354 . . . . 1.97 110.26 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.5 29.24 0.01 OUTLIER 'General case' 0 C--N 1.342 0.278 0 N-CA-C 108.834 -0.802 . . . . 3.75 108.834 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -122.04 18.08 10.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.219 -0.9 . . . . 4.82 111.29 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.38 171.57 20.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.881 0.372 . . . . 2.56 111.622 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -136.0 -56.97 0.77 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.132 -0.485 . . . . 3.78 111.827 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 69.62 10.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.081 0.4 . . . . 2.69 112.081 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 30.7 t -113.03 137.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 1.52 108.251 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -49.59 119.13 3.2 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.557 0.536 . . . . 1.85 111.178 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.51 -23.07 64.25 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.554 0.342 . . . . 1.48 111.495 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -68.45 -43.1 77.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 3.68 111.133 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' THR . . . . . 0.5 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -86.27 -19.8 29.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.368 -0.378 . . . . 1.81 110.582 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -55.1 -51.46 66.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.943 -0.571 . . . . 3.48 110.527 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -23.11 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.93 -0.577 . . . . 1.96 111.546 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -70.64 -46.44 63.29 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.916 -0.49 . . . . 2.82 110.955 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 34' ' ' THR . 14.5 t -63.79 -44.68 98.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 1.43 111.192 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -45.35 93.3 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 109.967 -0.383 . . . . 2.27 109.967 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -53.0 -39.89 63.43 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.42 -0.809 . . . . 1.26 111.039 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.69 -46.16 26.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.165 0.431 . . . . 0.8 112.165 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.3 mtm -57.21 -38.41 73.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 1.52 111.004 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -30.66 32.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.786 0.327 . . . . 1.06 111.282 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 2.7 tp10 -56.27 -55.34 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 2.19 111.446 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.46 -7.5 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.009 -0.367 . . . . 1.28 110.009 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 62.08 80.72 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.831 -0.622 . . . . 1.84 110.899 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' TYR . . . . . 0.449 ' HB2' HG11 ' B' ' 9' ' ' VAL . 12.5 t80 -66.31 117.36 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 1.28 111.71 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -120.34 126.93 26.57 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.048 -1.093 . . . . 1.39 108.048 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -40.62 110.18 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.553 2.836 . . . . 1.38 113.198 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -64.91 139.65 58.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 2.08 111.559 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -87.64 170.78 10.98 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.761 -0.654 . . . . 3.44 109.873 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 33.8 m 60.92 37.93 17.97 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 124.061 0.851 . . . . 1.9 109.962 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.38 -23.54 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 114.217 -1.356 . . . . 1.21 111.36 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -73.9 -32.36 63.54 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.233 -1.395 . . . . 1.74 107.233 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.72 -37.76 65.02 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.279 -1.328 . . . . 3.28 109.915 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LEU . . . . . 0.578 HD23 HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -62.62 -60.01 4.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.141 -0.936 . . . . 1.67 110.638 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.05 79.9 9.22 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.723 -0.671 . . . . 2.13 111.822 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.55 -21.79 0.13 Allowed Glycine 0 C--N 1.339 0.711 0 C-N-CA 120.841 -0.695 . . . . 2.17 113.091 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.46 ' HD3' HD22 ' A' ' 50' ' ' ASN . 1.8 mtpp -78.36 51.03 0.98 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.026 0.751 . . . . 6.14 113.026 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.24 -24.05 15.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.297 0.57 . . . . 6.69 110.393 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -134.31 20.9 3.69 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.61 -0.723 . . . . 6.61 110.143 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 62' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 25.6 tp . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.841 -1.076 . . . . 8.78 109.453 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' -1' ' ' ' DC' . . . . . 0.96 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 C3'-C2'-C1' 99.338 -2.401 . . . . 5.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ' DG' . . . . . 0.438 ' C8 ' H2'' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.395 -2.36 . . . . 4.68 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.653 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.073 0 O4'-C1'-C2' 104.031 -1.881 . . . . 3.36 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.653 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.913 0 O4'-C1'-C2' 103.818 -2.075 . . . . 2.18 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' ' DA' . . . . . 0.549 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.906 0 C3'-C2'-C1' 99.854 -2.033 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ' DG' . . . . . 0.491 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 O4'-C1'-C2' 103.875 -2.022 . . . . 1.35 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ' DT' . . . . . 0.424 ' C5 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 99.631 -2.192 . . . . 1.56 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.456 0.935 0 C3'-C2'-C1' 99.374 -2.376 . . . . 1.32 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . 0.426 H2'' ' C8 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.145 0 C3'-C2'-C1' 99.574 -2.233 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' ' DG' . . . . . 0.426 ' C8 ' H2'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.179 0 C3'-C2'-C1' 99.527 -2.267 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ' DC' . . . . . 0.586 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 103.752 -2.134 . . . . 1.33 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' ' DG' . . . . . 0.586 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.891 0 C3'-C2'-C1' 99.849 -2.036 . . . . 1.08 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . 0.421 ' C6 ' H2'' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.876 0 C3'-C2'-C1' 99.903 -1.998 . . . . 0.98 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.218 0 C3'-C2'-C1' 99.663 -2.169 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.528 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.823 0 C3'-C2'-C1' 99.162 -2.527 . . . . 1.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' ' DC' . . . . . 0.528 ' C5 ' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.881 0 C3'-C2'-C1' 99.331 -2.406 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.01 0 C3'-C2'-C1' 99.2 -2.5 . . . . 2.55 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 17' ' ' ' DC' . . . . . 0.463 " H1'" ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 99.189 -2.508 . . . . 2.77 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 18' ' ' ' DA' . . . . . 0.463 ' C8 ' " H1'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.173 0 C3'-C2'-C1' 99.436 -2.332 . . . . 2.45 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.508 ' C8 ' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.946 0 C3'-C2'-C1' 99.439 -2.33 . . . . 2.44 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.508 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 99.207 -2.495 . . . . 2.51 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ' DT' . . . . . 0.474 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.866 0 C3'-C2'-C1' 98.862 -2.741 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 103.85 -2.045 . . . . 3.45 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 100.658 -1.458 . . . . 4.17 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ' DA' . . . . . 0.545 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.609 0 C3'-C2'-C1' 100.874 -1.304 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ' DA' . . . . . 0.545 ' C8 ' H2'' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 C1'-O4'-C4' 110.792 0.78 . . . . 3.18 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ' DT' . . . . . 0.444 ' H72' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.971 0 C3'-C2'-C1' 101.365 -0.954 . . . . 2.4 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' ' DT' . . . . . 0.613 " H2'" ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.521 -0.684 0 O4'-C4'-C3' 104.601 -0.999 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ' DG' . . . . . 0.613 ' C8 ' " H2'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C3'-C2'-C1' 100.999 -1.215 . . . . 1.81 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ' DC' . . . . . 0.461 ' OP2' H2'' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.843 0 C3'-C2'-C1' 106.499 2.714 . . . . 1.84 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ' DG' . . . . . 0.445 ' C8 ' H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 P--O3' 1.624 1.412 0 C3'-C2'-C1' 100.646 -1.467 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' ' DT' . . . . . 0.447 H2'' " O5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C3'-C2'-C1' 105.133 1.738 . . . . 2.28 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' ' DT' . . . . . 0.448 H2'' " H2'" ' D' ' 10' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.698 0 C3'-C2'-C1' 101.024 -1.197 . . . . 2.08 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ' DG' . . . . . 0.448 " H2'" H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 100.247 -1.752 . . . . 2.14 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' ' DC' . . . . . 0.617 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 C3'-C2'-C1' 105.575 2.053 . . . . 2.16 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' ' DG' . . . . . 0.617 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.036 0 C4'-C3'-C2' 104.697 1.497 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' ' DC' . . . . . 0.541 ' C4 ' ' C5 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C1'-O4'-C4' 106.601 -2.213 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' ' DT' . . . . . 0.689 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 C3'-C2'-C1' 105.009 1.65 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' ' DC' . . . . . 0.701 H2'' ' C8 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 104.925 1.725 . . . . 1.67 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 16' ' ' ' DA' . . . . . 0.701 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C3'-C2'-C1' 99.968 -1.951 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 17' ' ' ' DC' . . . . . 0.536 ' C5 ' " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C5'-C4'-C3' 116.081 0.92 . . . . 2.42 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 18' ' ' ' DT' . . . . . 0.649 H2'' " O4'" ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 C3'-C2'-C1' 105.335 1.882 . . . . 3.05 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 19' ' ' ' DG' . . . . . 0.649 " O4'" H2'' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 O4'-C1'-C2' 107.478 1.253 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ' DC' . . . . . 0.679 ' H6 ' " O5'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C1'-O4'-C4' 110.794 0.782 . . . . 3.14 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ' DC' . . . . . 0.522 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.535 0.733 0 O4'-C1'-C2' 104.396 -1.549 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 22' ' ' ' DG' . . . . . 0.96 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.595 0 C4'-C3'-C2' 102.307 -0.893 . . . . 3.95 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 8' ' ' ASP . 2.4 p . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.728 0.775 . . . . 1.8400000000000001 110.197 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 49.0 p -110.42 -168.43 1.31 Allowed 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.653 -0.703 . . . . 2.0899999999999999 109.986 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.471 ' HG ' ' HB2' ' A' ' 17' ' ' TYR . 2.4 pt? -54.1 -16.32 1.94 Allowed 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.68 0.613 . . . . 1.21 112.356 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -79.98 -37.54 34.08 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.344 0.52 . . . . 1.8600000000000001 111.088 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.498 ' HB2' HG23 ' A' ' 4' ' ' VAL . 5.4 m-20 -76.97 -36.35 56.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.527 . . . . 2.1200000000000001 111.614 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.74 -20.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 0.92000000000000004 110.73 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 15' ' ' VAL . . . -62.33 -60.81 3.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 1.02 110.879 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -37.14 81.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.973 0.416 . . . . 2.4500000000000002 111.194 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.34 -31.29 67.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.399 -0.364 . . . . 1.78 111.59 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.47 -12.46 18.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.531 0.205 . . . . 1.1100000000000001 111.215 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.2 29.01 32.02 Favored Glycine 0 C--O 1.229 -0.174 0 C-N-CA 120.498 -0.858 . . . . 1.1699999999999999 113.05 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 2.8 m -138.01 -168.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 109.411 -0.588 . . . . 1.0800000000000001 109.411 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.3 p -94.46 -167.88 1.74 Allowed 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.65 -0.5 . . . . 1.9199999999999999 109.65 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.471 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.9 p90 -90.56 4.82 50.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.586 -0.446 . . . . 0.96999999999999997 111.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -91.63 -36.19 13.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.69 -0.404 . . . . 2.23 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -32.74 74.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 109.572 -0.529 . . . . 1.21 109.572 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.08 -50.96 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.626 -0.716 . . . . 1.5900000000000001 109.708 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.47 -16.19 61.81 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.236 -0.438 . . . . 1.6000000000000001 112.13 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -38.74 59.66 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.994 -0.548 . . . . 4.2699999999999996 111.875 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 11.9 m -89.14 -11.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 112.726 0.639 . . . . 1.76 112.726 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.73 -28.07 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 1.8700000000000001 111.146 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -96.56 -53.67 3.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.684 0.624 . . . . 1.6699999999999999 112.684 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -134.02 -33.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.577 0.584 . . . . 3.3399999999999999 112.577 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 69.87 47.19 0.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.45 0.469 . . . . 1.8999999999999999 111.645 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.82 -134.97 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.891 0.476 . . . . 2.1400000000000001 111.117 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -77.42 83.83 3.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.173 0.511 . . . . 3.8900000000000001 110.07 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.8 t -86.43 67.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.846 -0.615 . . . . 1.55 109.987 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 m 67.31 -7.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.643 -0.708 . . . . 1.78 112.667 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.422 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 75.12 -27.96 0.19 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.174 0.989 . . . . 1.53 112.601 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -116.29 -3.67 11.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 4.2000000000000002 111.773 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -125.62 29.95 5.86 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.208 -0.451 . . . . 1.48 110.09 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . 23.0 ttm105 -82.51 -48.79 10.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.357 1.075 . . . . 3.46 109.418 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -22.22 34.13 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.165 -1.379 . . . . 2.6400000000000001 109.257 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.85 -49.29 75.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.504 -0.771 . . . . 3.54 111.37 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -65.64 -38.58 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 117.747 0.249 . . . . 1.8400000000000001 111.264 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -60.7 -42.9 98.12 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.826 0.822 . . . . 1.8400000000000001 110.352 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.21 -44.81 82.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 1.25 110.097 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.9 73.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.0900000000000001 110.227 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttp -63.9 -49.01 74.37 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.482 -0.781 . . . . 1.4399999999999999 110.048 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.78 81.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.05 -0.523 . . . . 1.3899999999999999 110.707 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.21 -48.54 70.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.204 -0.453 . . . . 2.0800000000000001 111.783 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.18 -0.65 46.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 1.1899999999999999 110.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t30 61.03 30.35 19.5 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.749 -0.659 . . . . 2.04 109.457 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -65.03 126.44 28.06 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 115.109 -0.95 . . . . 1.77 111.244 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.0 tp -109.54 108.33 59.76 Favored Pre-proline 0 C--N 1.311 -1.073 0 C-N-CA 120.649 -0.42 . . . . 2.0299999999999998 111.504 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -67.99 50.64 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.308 2.672 . . . . 0.92000000000000004 113.156 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 54.76 -160.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.15 0.906 . . . . 1.55 113.102 178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -145.13 -40.16 0.24 Allowed 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.175 -0.921 . . . . 3.5299999999999998 110.374 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 7.1 t -125.22 -7.53 7.07 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.344 0.868 . . . . 1.6499999999999999 113.344 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.57 98.46 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.486 0.55 . . . . 0.96999999999999997 112.486 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -62.36 -19.75 63.69 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 123.19 0.596 . . . . 1.6699999999999999 110.898 -178.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.78 -64.16 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.592 -0.892 . . . . 2.1200000000000001 108.592 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.4 tp -62.13 -5.51 2.33 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.18 0.437 . . . . 1.4399999999999999 112.18 175.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.3 129.14 46.26 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.851 -1.156 . . . . 1.8600000000000001 109.595 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 C-N-CA 121.178 -0.534 . . . . 2.7599999999999998 113.166 -178.964 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 CA--C 1.534 0.352 0 CA-C-O 120.536 0.208 . . . . 1.95 110.887 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.33 146.1 33.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.629 -0.878 . . . . 1.74 108.629 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.484 ' HG ' ' CE1' ' B' ' 47' ' ' TYR . 0.5 OUTLIER -62.2 -33.47 74.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.7 0.286 . . . . 1.27 110.789 -178.376 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -59.39 -33.47 71.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 115.769 -0.651 . . . . 1.1499999999999999 110.846 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.32 -45.84 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.383 -0.372 . . . . 1.8100000000000001 110.253 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.897 -0.592 . . . . 1.6000000000000001 110.208 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.58 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.692 -0.686 . . . . 1.22 109.861 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -69.9 -38.61 76.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 2.73 112.381 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.88 -40.75 98.47 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.399 -0.593 . . . . 1.71 109.399 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.92 -19.15 60.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.85 -0.614 . . . . 1.21 111.064 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.75 75.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.447 -0.406 . . . . 1.53 113.125 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.18 -173.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.081 0.441 . . . . 1.79 111.284 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -80.98 20.52 0.78 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.028 1.121 . . . . 2.1600000000000001 114.028 -177.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' B' ' 16' ' ' SER . 4.6 t80 70.97 -56.23 0.63 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.104 0.411 . . . . 2.1899999999999999 111.911 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -50.95 -43.06 60.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.926 0.393 . . . . 3.1699999999999999 111.538 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -25.58 68.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.02 1.118 . . . . 1.4099999999999999 114.02 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.6 t -71.0 -66.63 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.555 0.576 . . . . 1.6200000000000001 112.555 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -21.24 66.11 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.841 0.682 . . . . 1.8600000000000001 112.841 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.496 ' HA ' ' HD3' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -26.86 64.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 118.177 0.444 . . . . 5.2400000000000002 110.423 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.711 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 55.1 t -63.56 -39.74 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.76 0.314 . . . . 1.77 110.9 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -0.56 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.749 0.785 . . . . 1.97 110.999 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' B' ' 22' ' ' ARG . 20.3 t-20 -103.55 -63.89 1.14 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.544 -0.753 . . . . 3.75 111.445 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -167.4 54.53 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.82 0.343 . . . . 4.8200000000000003 111.561 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -63.5 134.3 55.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.428 0.632 . . . . 2.5600000000000001 111.874 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -124.44 -85.33 0.64 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.768 -1.105 . . . . 3.7799999999999998 110.372 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -95.28 65.98 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.028 -0.533 . . . . 2.6899999999999999 112.241 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.0 t -108.85 128.59 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.574 -0.899 . . . . 1.52 108.574 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.51 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 71.0 m -63.99 145.83 55.17 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.384 0.612 . . . . 1.8500000000000001 110.932 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.461 ' HA ' ' HG2' ' B' ' 35' ' ' ARG . . . -57.32 -33.99 68.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.888 -1.051 . . . . 1.48 110.29 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -66.45 -38.33 87.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.673 -0.694 . . . . 3.6800000000000002 111.142 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -73.27 -44.9 58.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.836 -0.62 . . . . 1.8100000000000001 111.69 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.617 ' HA ' HG22 ' B' ' 38' ' ' VAL . 13.7 ptm180 -69.44 -28.74 66.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.334 0.588 . . . . 3.48 112.091 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.9 -50.48 70.54 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.652 -0.704 . . . . 1.96 110.623 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -68.4 -48.34 64.92 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.483 -0.78 . . . . 2.8199999999999998 112.385 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' B' ' 35' ' ' ARG . 9.1 m -61.06 -33.53 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 112.31 0.485 . . . . 1.4299999999999999 112.31 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.37 -43.49 90.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.558 -0.905 . . . . 2.27 108.558 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -58.89 -39.73 82.3 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.394 -0.821 . . . . 1.26 110.785 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.22 -41.61 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.37 0.508 . . . . 0.80000000000000004 112.37 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.51 -41.43 96.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.514 -0.312 . . . . 1.52 110.833 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.47 -29.88 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 1.0600000000000001 111.543 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.583 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 13.3 tp10 -70.06 -46.95 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.952 0.406 . . . . 2.1899999999999999 111.928 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.08 -8.4 45.95 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.319 -0.552 . . . . 1.28 112.398 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 65.16 86.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 1.8400000000000001 109.406 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.484 ' CE1' ' HG ' ' B' ' 6' ' ' LEU . 40.9 t80 -90.02 110.96 21.91 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.92 -0.582 . . . . 1.28 111.063 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -114.2 120.12 39.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 N-CA-C 109.685 -0.487 . . . . 1.3899999999999999 109.685 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.64 103.65 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.231 1.287 . . . . 1.3799999999999999 111.524 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -79.88 147.14 31.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.848 -0.614 . . . . 2.0800000000000001 111.71 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -98.16 88.68 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 3.4399999999999999 110.75 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 99.4 m -158.43 -69.84 0.09 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.66 -1.154 . . . . 1.8999999999999999 109.509 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.29 7.57 13.56 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.094 -0.706 . . . . 1.21 109.094 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.88 -50.33 6.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.623 -0.673 . . . . 1.74 110.072 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -66.15 -43.09 88.0 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.729 0.776 . . . . 3.2799999999999998 109.693 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 30.0 tp -65.3 -37.75 88.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.146 -1.388 . . . . 1.6699999999999999 112.551 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.38 63.46 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.037 0.211 . . . . 2.1299999999999999 111.196 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.612 0 N-CA-C 111.446 -0.661 . . . . 2.1699999999999999 111.446 179.362 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 8' ' ' ASP . 17.9 m . . . . . 0 N--CA 1.43 -1.459 0 CA-C-O 120.647 0.261 . . . . 1.8400000000000001 111.264 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.595 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 1.2 p -108.4 -170.72 1.72 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.694 -0.685 . . . . 2.0899999999999999 112.051 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 21' ' ' SER . 0.2 OUTLIER -53.94 -19.87 5.27 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 113.046 0.758 . . . . 1.21 113.046 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -77.26 -32.3 55.53 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 118.187 0.449 . . . . 1.8600000000000001 111.514 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -86.53 -52.48 5.54 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.615 0.228 . . . . 2.1200000000000001 111.615 -178.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.11 -35.06 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.153 -0.476 . . . . 0.92000000000000004 111.484 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.38 89.79 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.173 0.434 . . . . 1.02 112.173 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.6 -33.46 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.118 0.485 . . . . 2.4500000000000002 110.922 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.424 ' CD2' HD11 ' A' ' 45' ' ' LEU . 21.0 t80 -64.99 -33.82 76.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.809 -0.632 . . . . 1.78 110.977 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.57 -25.12 21.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.407 -0.815 . . . . 1.1100000000000001 110.697 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.61 16.11 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.736 -0.745 . . . . 1.1699999999999999 113.585 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.56 -171.5 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 120.442 0.163 . . . . 1.0800000000000001 110.708 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.7 p -86.12 170.46 12.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.763 -0.458 . . . . 1.9199999999999999 109.763 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -74.72 -12.41 60.41 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.921 -0.312 . . . . 0.96999999999999997 110.739 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -82.81 -34.52 26.92 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.529 -0.468 . . . . 2.23 109.817 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -48.78 80.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 1.21 111.686 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' VAL . 3.9 p -66.68 -36.06 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.545 0.572 . . . . 1.5900000000000001 112.545 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.604 ' HB3' HD23 ' A' ' 6' ' ' LEU . 86.8 p -82.14 -14.96 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.647 -0.658 . . . . 1.6000000000000001 110.792 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 15.2 tpt180 -73.9 -27.38 61.02 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 112.197 0.443 . . . . 4.2699999999999996 112.197 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 20' ' ' VAL . 27.1 m -65.37 -42.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.569 0.7 . . . . 1.76 110.761 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -79.59 -15.5 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.826 -0.624 . . . . 1.8700000000000001 112.004 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -85.09 -52.46 5.94 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.031 0.832 . . . . 1.6699999999999999 110.253 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -160.22 -32.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.792 -0.567 . . . . 3.3399999999999999 111.208 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 65.54 36.63 6.47 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.658 0.783 . . . . 1.8999999999999999 111.929 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -42.83 63.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.766 -0.652 . . . . 2.1400000000000001 111.642 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -141.92 75.94 1.52 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.536 0.207 . . . . 3.8900000000000001 111.436 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.487 HG21 HG12 ' A' ' 23' ' ' VAL . 3.1 t -102.65 35.74 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.729 -0.471 . . . . 1.55 109.729 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.568 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 57.1 m 65.19 -23.67 0.09 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.684 0.994 . . . . 1.78 113.684 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.72 -19.63 0.3 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.629 0.772 . . . . 1.53 110.775 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 31' ' ' SER . 32.1 mttt -85.07 -36.17 21.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.677 0.791 . . . . 4.2000000000000002 112.524 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.49 3.45 21.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.157 0.504 . . . . 1.48 111.079 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -43.84 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.898 0.703 . . . . 3.46 112.898 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -26.36 33.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.55 0.691 . . . . 2.6400000000000001 111.448 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.586 -0.734 . . . . 3.54 111.189 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.413 ' HB ' HG23 ' A' ' 20' ' ' VAL . 35.4 m -71.81 -25.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 117.978 0.354 . . . . 1.8400000000000001 110.881 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.31 -38.51 60.26 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.441 0.162 . . . . 1.8400000000000001 110.721 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -65.11 -38.37 90.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.517 -0.311 . . . . 1.25 110.833 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.45 19.04 4.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.179 0.437 . . . . 1.0900000000000001 112.179 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 38.1 ttm -85.56 -60.3 2.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.302 0.572 . . . . 1.4399999999999999 110.356 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -18.31 44.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.513 -0.767 . . . . 1.3899999999999999 110.256 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -74.24 -45.11 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.505 0.669 . . . . 2.0800000000000001 111.295 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 12' ' ' TYR . 79.9 mt -91.0 -0.09 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.02 -0.536 . . . . 1.1899999999999999 111.038 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 t30 64.99 83.29 0.17 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.842 0.714 . . . . 2.04 109.388 -178.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 12.9 t80 -123.01 121.67 36.64 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.073 -0.512 . . . . 1.77 110.726 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.454 ' C ' ' H ' ' A' ' 50' ' ' ASN . 32.4 mt -119.51 110.74 36.97 Favored Pre-proline 0 C--O 1.223 -0.298 0 O-C-N 123.711 0.632 . . . . 2.0299999999999998 109.358 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_exo -63.99 18.09 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 123.883 3.055 . . . . 0.92000000000000004 114.668 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 48' ' ' ILE . 42.5 m-80 60.09 165.06 0.06 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 122.093 0.949 . . . . 1.55 112.358 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -115.85 -15.33 11.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.594 -1.185 . . . . 3.5299999999999998 109.441 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -136.8 110.75 8.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.52 -1.673 . . . . 1.6499999999999999 109.817 179.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' B' ' 56' ' ' LEU . . . 174.49 -44.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.004 -0.998 . . . . 0.96999999999999997 110.664 -175.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -67.29 -29.35 68.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.791 0.682 . . . . 1.6699999999999999 110.885 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.97 14.11 0.57 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.618 -0.676 . . . . 2.1200000000000001 111.895 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.536 HD22 HD23 ' B' ' 56' ' ' LEU . 8.9 tp -110.25 -16.59 13.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.964 -0.562 . . . . 1.4399999999999999 110.16 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -120.55 -11.38 9.09 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 121.8 0.809 . . . . 1.8600000000000001 111.711 -179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.504 -0.612 0 N-CA-C 110.592 -1.003 . . . . 2.7599999999999998 110.592 -178.475 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 109.218 -0.66 . . . . 1.95 109.218 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -145.69 160.34 41.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.916 -0.772 . . . . 1.74 108.916 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.97 -22.03 65.94 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.372 0.606 . . . . 1.27 110.934 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.51 -30.72 64.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.267 -0.878 . . . . 1.1499999999999999 109.729 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.97 -27.14 60.84 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 122.139 0.971 . . . . 1.8100000000000001 110.372 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.1 t -70.3 -41.36 78.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.552 -1.203 . . . . 1.6000000000000001 110.482 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.13 65.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.677 0.751 . . . . 1.22 109.887 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -72.81 -44.15 61.83 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.572 -1.195 . . . . 2.73 110.544 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -67.84 -43.93 78.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 1.71 110.275 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.12 -21.33 59.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 113.87 1.063 . . . . 1.21 113.87 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.5 39.73 55.85 Favored Glycine 0 C--O 1.222 -0.605 0 N-CA-C 110.393 -1.083 . . . . 1.53 110.393 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -128.72 -173.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.371 . . . . 1.79 110.385 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -93.21 162.63 13.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 2.1600000000000001 110.236 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.69 -22.21 61.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.85 -0.614 . . . . 2.1899999999999999 110.732 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.595 ' HG3' ' N ' ' B' ' 19' ' ' THR . 0.2 OUTLIER -80.51 -30.57 37.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 3.1699999999999999 110.446 -178.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.595 ' N ' ' HG3' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -70.23 -37.24 74.96 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.111 -0.949 . . . . 1.4099999999999999 110.743 -177.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.42 ' O ' HG23 ' B' ' 24' ' ' VAL . 29.5 m -77.05 -28.0 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.996 0.81 . . . . 1.6200000000000001 111.494 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -84.43 -48.64 9.44 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.719 0.771 . . . . 1.8600000000000001 110.688 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' B' ' 26' ' ' GLN . 3.3 tpp180 -55.43 -39.31 70.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.616 -1.175 . . . . 5.2400000000000002 113.28 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.93 -20.69 23.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.334 0.494 . . . . 1.77 112.334 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 20' ' ' VAL . 54.7 t -67.52 -74.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 120.966 0.413 . . . . 1.97 110.424 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -155.33 67.0 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 3.75 111.287 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.521 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 65.4 mt-30 -139.39 -66.42 0.46 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.311 -0.404 . . . . 4.8200000000000003 111.449 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.17 161.49 32.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 2.5600000000000001 112.054 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -115.83 -5.66 12.07 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.667 -0.697 . . . . 3.7799999999999998 111.126 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.34 41.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 2.6899999999999999 110.622 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -107.89 136.74 42.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.194 -0.457 . . . . 1.52 110.686 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.29 125.52 16.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 123.788 0.68 . . . . 1.8500000000000001 112.296 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.76 96.92 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.088 -0.506 . . . . 1.48 111.404 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -58.42 -38.7 77.96 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.34 0.59 . . . . 3.6800000000000002 111.667 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.1 -21.23 24.8 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.806 0.669 . . . . 1.8100000000000001 112.806 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.432 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -73.95 -30.77 62.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.639 0.607 . . . . 3.48 112.639 -178.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.31 -31.0 72.03 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.644 0.735 . . . . 1.96 111.65 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -74.68 -27.84 60.58 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.276 -0.875 . . . . 2.8199999999999998 111.56 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.44 -40.67 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 109.909 -0.404 . . . . 1.4299999999999999 109.909 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 23.6 mt-10 -63.11 -45.31 92.65 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.363 -0.606 . . . . 2.27 109.363 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.81 79.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.999 -1.0 . . . . 1.26 111.311 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.02 96.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.264 -0.273 . . . . 0.80000000000000004 110.264 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 79.5 mtm -63.91 -36.67 84.69 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.692 -0.685 . . . . 1.52 111.044 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.95 -37.02 24.68 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.318 0.386 . . . . 1.0600000000000001 111.156 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.09 -45.35 81.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 2.1899999999999999 110.334 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.38 -6.99 59.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.17 0.509 . . . . 1.28 110.028 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.84 50.19 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.754 -1.112 . . . . 1.8400000000000001 110.585 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -63.48 120.47 11.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.159 -0.928 . . . . 1.28 111.369 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mt -126.72 127.95 24.37 Favored Pre-proline 0 C--N 1.317 -0.806 0 N-CA-C 107.816 -1.179 . . . . 1.3899999999999999 107.816 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -43.98 95.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.475 2.117 . . . . 1.3799999999999999 111.713 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -77.88 156.64 30.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.43 -0.804 . . . . 2.0800000000000001 111.479 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.683 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 1.1 mpt_? -93.91 171.5 8.82 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.4 -0.593 . . . . 3.4399999999999999 109.4 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.502 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 69.8 m 62.56 46.14 5.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.047 -0.524 . . . . 1.8999999999999999 109.799 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 176.95 -25.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 114.682 -1.145 . . . . 1.21 109.731 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -90.3 -42.16 11.13 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 114.89 -1.05 . . . . 1.74 108.776 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.427 HE22 ' HG3' ' B' ' 51' ' ' ARG . 22.4 mp0 -71.94 -47.79 49.88 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 121.903 0.859 . . . . 3.2799999999999998 110.206 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 53' ' ' ALA . 1.1 tp -57.65 -31.85 66.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.477 -1.238 . . . . 1.6699999999999999 111.705 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.77 -11.48 31.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.163 -0.335 . . . . 2.1299999999999999 111.869 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.503 -0.656 0 C-N-CA 120.602 -0.808 . . . . 2.1699999999999999 111.332 -178.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p . . . . . 0 CA--C 1.534 0.336 0 CA-C-O 120.81 0.338 . . . . 1.8400000000000001 110.953 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.559 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 11.8 p -126.5 -169.53 2.04 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.528 -0.306 . . . . 2.0899999999999999 110.934 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.449 ' HA ' HG11 ' A' ' 20' ' ' VAL . 0.3 OUTLIER -53.91 -16.65 1.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.096 -0.502 . . . . 1.21 111.899 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -80.99 -32.4 34.32 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.892 0.377 . . . . 1.8600000000000001 111.008 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.5 -44.79 20.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 2.1200000000000001 110.252 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.457 ' HB ' HG21 ' A' ' 20' ' ' VAL . 4.4 t -64.56 -26.83 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.979 -0.555 . . . . 0.92000000000000004 111.003 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -60.67 -57.36 13.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.075 0.465 . . . . 1.02 110.65 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -45.54 91.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.47 -0.786 . . . . 2.4500000000000002 110.251 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -60.34 -22.7 63.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.831 -0.622 . . . . 1.78 111.593 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.11 -10.09 18.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.495 . . . . 1.1100000000000001 112.267 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.45 30.08 50.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.092 -0.575 . . . . 1.1699999999999999 112.425 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.02 -174.53 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.975 -0.38 . . . . 1.0800000000000001 109.975 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 p -86.67 168.58 13.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.137 -0.69 . . . . 1.9199999999999999 109.137 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.476 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 50.1 p90 -66.06 -18.29 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.185 -0.206 . . . . 0.96999999999999997 111.218 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 42.8 tp60 -68.96 -29.57 67.83 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.481 0.181 . . . . 2.23 110.938 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -68.08 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.869 0.366 . . . . 1.21 110.092 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.529 ' HA ' HG11 ' A' ' 38' ' ' VAL . 39.0 t -67.75 -37.25 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.833 -0.621 . . . . 1.5900000000000001 110.629 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.5 t -81.26 -20.99 39.74 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.19 0.519 . . . . 1.6000000000000001 110.742 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 3.6 ttp180 -64.26 -31.58 72.84 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 4.2699999999999996 112.432 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -87.46 -4.87 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.988 -0.685 . . . . 1.76 112.557 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.4 t -84.22 -53.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.26 0.553 . . . . 1.8700000000000001 110.991 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -94.68 -65.64 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.535 -0.757 . . . . 1.6699999999999999 112.24 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -62.69 -59.53 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.367 0.506 . . . . 3.3399999999999999 112.367 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.03 31.1 21.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.757 -0.656 . . . . 1.8999999999999999 110.626 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -91.68 -155.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.959 -0.564 . . . . 2.1400000000000001 111.724 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -66.64 99.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 3.8900000000000001 112.25 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 32' ' ' ALA . 24.1 t -106.76 69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.476 -0.784 . . . . 1.55 109.786 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m 67.69 -18.96 0.14 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.916 -1.038 . . . . 1.78 112.507 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 70.84 2.16 4.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.036 0.534 . . . . 1.53 110.632 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -119.87 -45.9 2.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.76 0.79 . . . . 4.2000000000000002 109.653 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.85 0.17 57.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.577 -1.192 . . . . 1.48 111.043 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 35' ' ' ARG . 39.8 ttt-85 -69.35 -55.93 8.96 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.888 -0.596 . . . . 3.46 109.599 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.94 -30.89 69.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.6400000000000001 110.198 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.76 -51.35 67.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.925 -0.58 . . . . 3.54 110.475 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.529 HG11 ' HA ' ' A' ' 20' ' ' VAL . 62.0 t -66.38 -45.05 90.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.692 0.282 . . . . 1.8400000000000001 111.123 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -55.38 -35.9 65.79 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.431 -0.35 . . . . 1.8400000000000001 111.447 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.29 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.149 -0.344 . . . . 1.25 111.662 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.39 83.76 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 111.6 0.222 . . . . 1.0900000000000001 111.6 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.7 ptm -62.58 -34.79 77.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.173 -0.611 . . . . 1.4399999999999999 111.175 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.37 41.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.992 0.425 . . . . 1.3899999999999999 110.538 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.1 -38.32 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 2.0800000000000001 111.416 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -86.56 6.46 30.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.411 -0.359 . . . . 1.1899999999999999 111.188 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 t30 61.54 25.48 15.4 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.1 0.476 . . . . 2.04 110.712 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 16.7 t80 -65.98 144.08 56.98 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.826 -0.625 . . . . 1.77 111.41 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 2.6 tp -134.9 108.03 10.63 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 115.4 -0.818 . . . . 2.0299999999999998 109.211 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.408 ' HD3' ' HA ' ' A' ' 48' ' ' ILE . 23.4 Cg_exo -66.98 30.73 0.12 Allowed 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.885 3.056 . . . . 0.92000000000000004 114.618 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 57.93 -173.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.796 0.665 . . . . 1.55 112.796 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -137.31 -42.97 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.058 -0.519 . . . . 3.5299999999999998 111.808 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -96.31 -19.36 19.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.602 -0.272 . . . . 1.6499999999999999 111.537 -179.05 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -25.98 67.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.308 0.575 . . . . 0.96999999999999997 110.438 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.85 -17.55 64.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.59 -0.732 . . . . 1.6699999999999999 110.845 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -79.34 -68.04 0.7 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.122 -0.49 . . . . 2.1200000000000001 110.467 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.9 tp -58.35 -7.11 0.79 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.121 1.156 . . . . 1.4399999999999999 114.121 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.07 4.53 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.578 0.584 . . . . 1.8600000000000001 112.578 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.506 -0.505 0 C-N-CA 120.516 -0.849 . . . . 2.7599999999999998 111.529 179.207 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p . . . . . 0 C--O 1.239 0.527 0 N-CA-C 108.497 -0.927 . . . . 1.95 108.497 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -143.76 171.58 14.01 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.743 0.306 . . . . 1.74 110.483 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.496 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -69.12 -14.81 63.21 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.153 -0.476 . . . . 1.27 111.21 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.18 -23.96 54.73 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.037 -0.727 . . . . 1.1499999999999999 109.037 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.81 -48.88 62.49 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.591 -0.731 . . . . 1.8100000000000001 111.101 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.51 -31.48 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 1.6000000000000001 111.67 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.459 ' HA ' ' HB ' ' B' ' 15' ' ' VAL . . . -70.83 -36.43 72.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.168 0.433 . . . . 1.22 112.168 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -82.68 -38.02 23.98 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.88 0.372 . . . . 2.73 111.134 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.33 -53.48 57.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.491 0.923 . . . . 1.71 113.491 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.04 -8.34 22.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.205 0.817 . . . . 1.21 113.205 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.91 48.33 5.83 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 119.48 -1.343 . . . . 1.53 111.138 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' B' ' 10' ' ' ALA . 40.4 t -93.95 145.69 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.076 0.465 . . . . 1.79 111.015 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.54 15.03 1.4 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.381 -0.827 . . . . 2.1600000000000001 113.079 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 8.0 t80 58.3 17.39 4.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.316 0.646 . . . . 2.1899999999999999 111.968 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.0 -32.74 2.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.559 0.695 . . . . 3.1699999999999999 109.22 -179.545 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.577 HG22 HG13 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -83.8 -8.67 59.17 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 113.186 0.81 . . . . 1.4099999999999999 113.186 -178.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.414 HG13 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -84.16 -59.21 2.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 O-C-N 122.124 -0.36 . . . . 1.6200000000000001 110.802 -179.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -53.89 -28.23 35.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 1.8600000000000001 112.029 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.52 -41.53 93.01 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.935 -0.575 . . . . 5.2400000000000002 110.436 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.401 HG21 HG21 ' B' ' 38' ' ' VAL . 87.8 t -67.94 -28.04 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.494 0.664 . . . . 1.77 109.85 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -79.89 -42.75 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.199 -0.91 . . . . 1.97 111.075 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -95.86 -76.67 0.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.994 0.368 . . . . 3.75 111.994 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -153.22 100.74 2.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.384 0.612 . . . . 4.8200000000000003 111.388 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.89 146.72 54.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.2 -0.909 . . . . 2.5600000000000001 110.541 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -142.07 -80.42 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.475 -0.329 . . . . 3.7799999999999998 110.267 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 57.5 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.282 0.563 . . . . 2.6899999999999999 111.064 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.577 HG13 HG22 ' B' ' 19' ' ' THR . 11.9 t -103.05 113.99 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.855 -1.066 . . . . 1.52 110.189 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.506 ' HB3' ' OG1' ' B' ' 34' ' ' THR . 24.4 t -60.1 149.09 33.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.518 0.675 . . . . 1.8500000000000001 110.917 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' CD ' ' B' ' 35' ' ' ARG . . . -62.19 -24.08 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.626 -0.715 . . . . 1.48 111.559 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.62 -22.9 32.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.188 0.518 . . . . 3.6800000000000002 110.323 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' B' ' 31' ' ' SER . 0.2 OUTLIER -90.86 -32.13 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 1.8100000000000001 112.004 -178.515 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 17.2 ptp180 -66.79 -14.54 62.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 3.48 112.088 -177.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.71 -40.64 12.4 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.698 0.285 . . . . 1.96 110.876 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -63.85 -41.07 97.88 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.886 0.374 . . . . 2.8199999999999998 110.675 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.401 HG21 HG21 ' B' ' 23' ' ' VAL . 18.4 m -64.73 -33.81 65.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.377 -0.829 . . . . 1.4299999999999999 110.496 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 4.3 mt-10 -73.5 -44.22 58.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.839 -0.43 . . . . 2.27 109.839 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.57 74.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 1.26 110.95 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.88 88.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.246 0.546 . . . . 0.80000000000000004 110.823 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.1 mtm -73.73 -36.16 65.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.823 -0.626 . . . . 1.52 111.367 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.89 -41.89 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 1.0600000000000001 111.572 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.56 -48.36 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 2.1899999999999999 110.984 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.19 -1.67 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 1.28 111.928 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 52.35 58.36 5.49 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.367 0.603 . . . . 1.8400000000000001 111.598 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -64.31 119.21 9.88 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.118 -0.633 . . . . 1.28 110.814 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.4 mm -105.51 123.22 40.16 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.595 -0.729 . . . . 1.3899999999999999 109.041 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.68 99.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.758 2.305 . . . . 1.3799999999999999 112.983 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.46 103.34 13.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 2.0800000000000001 111.492 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.506 ' HG3' ' OE1' ' B' ' 54' ' ' GLN . 2.5 mpp_? -85.99 100.0 11.83 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.443 1.116 . . . . 3.4399999999999999 110.379 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 35.7 t -176.3 -69.34 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 113.458 -1.701 . . . . 1.8999999999999999 107.429 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.93 13.09 1.13 Allowed 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 121.227 0.537 . . . . 1.21 110.886 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.506 ' OE1' ' HG3' ' B' ' 51' ' ' ARG . 3.5 mt-30 -88.83 -46.38 9.0 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 108.48 -0.933 . . . . 1.74 108.48 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' B' ' 56' ' ' LEU . 4.8 pt20 -85.88 -34.25 21.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.934 -1.136 . . . . 3.2799999999999998 107.934 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 40.5 tp -83.19 53.48 2.48 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.83 -1.077 . . . . 1.6699999999999999 109.137 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.81 0.69 1.11 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.891 -0.595 . . . . 2.1299999999999999 111.839 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.784 0 C-N-CA 118.924 -1.608 . . . . 2.1699999999999999 113.827 -179.243 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 8' ' ' ASP . 2.5 p . . . . . 0 CA--C 1.533 0.323 0 CA-C-O 120.973 0.416 . . . . 1.8400000000000001 111.531 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.524 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 2.2 p -111.03 -171.34 1.81 Allowed 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.078 -0.51 . . . . 2.0899999999999999 109.658 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.671 HD13 ' HB2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -58.66 -22.78 57.77 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.722 0.296 . . . . 1.21 111.753 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -71.1 -28.39 64.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 1.8600000000000001 110.726 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.479 ' HB3' HG23 ' A' ' 4' ' ' VAL . 30.4 t0 -87.94 -46.23 9.56 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.317 -0.401 . . . . 2.1200000000000001 110.094 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' THR . 37.1 t -59.92 -26.96 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.825 -0.625 . . . . 0.92000000000000004 110.071 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.83 75.93 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.936 -0.575 . . . . 1.02 110.49 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.68 -51.74 66.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.859 0.361 . . . . 2.4500000000000002 110.429 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -56.05 -31.44 63.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.566 -0.743 . . . . 1.78 110.637 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.4 -18.74 29.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.897 -0.592 . . . . 1.1100000000000001 112.1 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.63 21.54 61.7 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 120.603 -0.808 . . . . 1.1699999999999999 112.479 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.75 -171.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 117.344 0.572 . . . . 1.0800000000000001 110.085 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -89.66 169.74 11.06 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.295 0.569 . . . . 1.9199999999999999 110.513 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.671 ' HB2' HD13 ' A' ' 6' ' ' LEU . 4.5 p90 -66.42 -18.28 65.27 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.911 -0.586 . . . . 0.96999999999999997 112.571 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 40.2 tp60 -67.99 -34.96 77.51 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.902 -0.407 . . . . 2.23 109.902 179.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.54 83.93 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.086 -0.506 . . . . 1.21 110.231 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HA ' HG11 ' A' ' 38' ' ' VAL . 13.0 t -67.58 -43.67 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.768 0.318 . . . . 1.5900000000000001 110.157 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 m -60.9 -31.65 71.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.589 0.709 . . . . 1.6000000000000001 111.005 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -72.13 -34.23 68.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.432 0.901 . . . . 4.2699999999999996 113.432 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.485 HG11 ' HB ' ' A' ' 38' ' ' VAL . 33.2 m -78.51 -12.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 118.345 0.521 . . . . 1.76 111.217 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.57 -50.0 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.586 0.708 . . . . 1.8700000000000001 109.538 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -90.91 -64.4 1.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.147 -0.933 . . . . 1.6699999999999999 111.87 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.95 -73.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.185 0.439 . . . . 3.3399999999999999 112.185 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 57.1 27.28 13.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.068 -0.514 . . . . 1.8999999999999999 111.873 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.16 -82.64 0.62 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.182 0.515 . . . . 2.1400000000000001 111.542 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -85.44 90.4 7.94 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.723 -0.671 . . . . 3.8900000000000001 111.479 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.0 t -134.17 79.82 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.672 0.272 . . . . 1.55 110.484 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.6 t 60.07 -2.64 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.525 -0.762 . . . . 1.78 112.415 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 59.03 23.0 11.11 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.552 0.692 . . . . 1.53 110.613 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.84 -57.11 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.97 -1.013 . . . . 4.2000000000000002 110.421 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.74 31.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 1.48 112.068 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.513 HH21 ' HG2' ' A' ' 36' ' ' GLU . 13.3 ttp85 -82.67 -45.76 14.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.887 0.851 . . . . 3.46 109.164 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG2' HH21 ' A' ' 35' ' ' ARG . 84.7 mt-10 -80.94 -19.6 43.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.801 -1.091 . . . . 2.6400000000000001 111.581 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.01 -65.42 0.62 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.812 0.339 . . . . 3.54 110.166 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.485 ' HB ' HG11 ' A' ' 23' ' ' VAL . 2.1 t -62.4 -36.63 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.954 -0.566 . . . . 1.8400000000000001 111.456 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.95 -32.24 71.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.063 -0.255 . . . . 1.8400000000000001 111.336 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.07 -26.77 25.13 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 109.463 -0.569 . . . . 1.25 109.463 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.06 67.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.033 -0.53 . . . . 1.0900000000000001 110.496 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.0 ptm -60.81 -34.74 74.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.109 -0.496 . . . . 1.4399999999999999 109.786 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.92 -36.53 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.675 -0.693 . . . . 1.3899999999999999 110.889 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -44.19 89.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.215 -0.902 . . . . 2.0800000000000001 111.826 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -95.68 4.06 53.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.863 -0.608 . . . . 1.1899999999999999 112.004 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.6 t30 57.34 48.21 15.29 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.265 1.031 . . . . 2.04 110.387 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 13.2 t80 -72.0 125.3 26.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.504 -1.225 . . . . 1.77 111.692 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.463 HG13 ' H ' ' A' ' 50' ' ' ASN . 5.4 tp -110.35 105.04 56.85 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.008 -0.996 . . . . 2.0299999999999998 109.455 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_exo -67.38 15.25 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.043 3.162 . . . . 0.92000000000000004 114.527 -179.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.463 ' H ' HG13 ' A' ' 48' ' ' ILE . 60.9 m-80 59.92 -171.97 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.981 0.42 . . . . 1.55 111.44 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 11.0 ptt85 -135.31 -34.77 0.85 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.652 -0.419 . . . . 3.5299999999999998 110.712 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 84.6 m -89.43 -22.33 22.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.394 0.516 . . . . 1.6499999999999999 112.394 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.12 89.55 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.261 0.35 . . . . 0.96999999999999997 110.863 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.91 -35.25 80.12 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.033 -0.531 . . . . 1.6699999999999999 111.19 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -71.96 -69.55 0.38 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.211 0.448 . . . . 2.1200000000000001 112.211 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 tp -53.43 -17.37 1.91 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.998 1.481 . . . . 1.4399999999999999 114.998 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.67 -57.93 7.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.091 -0.643 . . . . 1.8600000000000001 110.659 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.054 0 C-N-CA 119.62 -1.276 . . . . 2.7599999999999998 112.588 178.296 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p . . . . . 0 N--CA 1.452 -0.341 0 N-CA-C 110.158 -0.312 . . . . 1.95 110.158 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 37.0 p -130.47 167.94 17.82 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.489 0.493 . . . . 1.74 110.369 178.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -78.76 -20.4 50.01 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.788 -0.449 . . . . 1.27 109.788 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 -81.83 -27.91 33.36 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.41 -0.814 . . . . 1.1499999999999999 110.302 177.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -49.67 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.06 0.457 . . . . 1.8100000000000001 111.058 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.97 -12.65 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.603 -0.726 . . . . 1.6000000000000001 111.673 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.99 -51.18 6.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.016 0.436 . . . . 1.22 110.985 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.4 -40.35 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.29 -0.868 . . . . 2.73 110.276 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -61.6 -41.0 96.82 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 1.71 110.9 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -85.5 -10.03 56.62 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.21 111.811 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.34 32.2 83.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.258 -0.973 . . . . 1.53 111.362 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 m -97.74 176.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.576 -0.312 . . . . 1.79 110.996 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -91.01 11.55 22.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.647 -0.706 . . . . 2.1600000000000001 112.146 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' B' ' 16' ' ' SER . 34.6 t80 73.54 -60.59 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.589 0.355 . . . . 2.1899999999999999 111.627 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 7.0 mp0 -58.91 -29.28 66.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.754 0.312 . . . . 3.1699999999999999 111.323 -179.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.452 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.2 OUTLIER -62.85 -36.92 84.85 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.154 -0.475 . . . . 1.4099999999999999 110.617 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.35 -45.97 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 115.895 -0.593 . . . . 1.6200000000000001 110.336 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -35.44 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.113 -0.494 . . . . 1.8600000000000001 112.132 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' B' ' 26' ' ' GLN . 10.4 mmm180 -79.63 -31.23 41.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 122.104 -0.372 . . . . 5.2400000000000002 110.587 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 19' ' ' THR . 64.2 t -64.35 -39.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.492 -0.483 . . . . 1.77 111.054 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 m -87.26 -20.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.946 0.35 . . . . 1.97 111.946 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -110.27 -73.41 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.362 0.505 . . . . 3.75 112.362 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . 0.483 ' HB3' ' NH2' ' B' ' 22' ' ' ARG . 18.5 tm0? -150.45 104.12 3.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.266 0.555 . . . . 4.8200000000000003 110.864 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' B' ' 22' ' ' ARG . . . -94.05 125.25 38.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.566 -0.743 . . . . 2.5600000000000001 111.175 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -108.82 -78.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.264 -0.426 . . . . 3.7799999999999998 111.143 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -102.49 48.81 0.86 Allowed 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 110.044 -0.354 . . . . 2.6899999999999999 110.044 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -99.19 122.06 50.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.74 -0.664 . . . . 1.52 110.714 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -73.02 141.55 47.68 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.229 0.538 . . . . 1.8500000000000001 110.452 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.35 -17.09 62.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.328 -0.396 . . . . 1.48 111.842 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -67.15 -34.47 77.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.868 0.366 . . . . 3.6800000000000002 111.424 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -22.65 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.532 . . . . 1.8100000000000001 110.524 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.664 ' O ' HG22 ' B' ' 38' ' ' VAL . 25.8 ttt180 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.197 -0.91 . . . . 3.48 111.895 -178.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -34.63 78.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 122.007 0.908 . . . . 1.96 111.068 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -61.84 -34.86 76.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.18 -0.918 . . . . 2.8199999999999998 112.361 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.664 HG22 ' O ' ' B' ' 35' ' ' ARG . 3.0 m -75.61 -22.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.246 -0.434 . . . . 1.4299999999999999 111.3 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.25 -53.82 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.793 -0.447 . . . . 2.27 109.793 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.88 -40.31 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.176 -0.92 . . . . 1.26 111.155 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.062 -0.517 . . . . 0.80000000000000004 112.082 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 19.2 ptp -61.85 -33.34 74.0 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.483 0.49 . . . . 1.52 111.183 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.79 42.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.56 0.578 . . . . 1.0600000000000001 112.56 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.86 -43.29 46.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.239 0.543 . . . . 2.1899999999999999 111.856 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -90.89 -6.34 54.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.187 -0.46 . . . . 1.28 111.841 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 t30 60.69 77.6 0.32 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 124.136 0.898 . . . . 1.8400000000000001 110.898 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -74.47 122.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.28 111.302 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.6 125.1 24.38 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.674 -1.232 . . . . 1.3899999999999999 107.674 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.51 103.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.72 2.28 . . . . 1.3799999999999999 111.815 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.39 96.17 2.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.075 -0.966 . . . . 2.0800000000000001 110.533 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.532 ' HD3' ' OE1' ' B' ' 54' ' ' GLN . 30.8 mmt-85 -79.78 86.88 5.3 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.813 0.816 . . . . 3.4399999999999999 110.0 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.48 -64.4 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 113.528 -1.669 . . . . 1.8999999999999999 108.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.03 7.38 21.61 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.962 -0.563 . . . . 1.21 110.395 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.532 ' OE1' ' HD3' ' B' ' 51' ' ' ARG . 96.8 mt-30 -90.55 -44.06 9.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.206 -0.452 . . . . 1.74 110.152 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -71.57 -32.8 68.49 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.613 1.197 . . . . 3.2799999999999998 108.187 178.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 19.1 tp -86.39 49.54 1.82 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.558 -1.655 . . . . 1.6699999999999999 110.092 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.84 -13.04 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 2.1299999999999999 112.142 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 121.321 -0.466 . . . . 2.1699999999999999 112.917 179.133 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 121.524 0.678 . . . . 1.8400000000000001 109.406 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.474 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 46.9 p -121.01 -169.16 1.79 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.373 0.606 . . . . 2.0899999999999999 112.109 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.426 HD12 ' N ' ' A' ' 6' ' ' LEU . 0.1 OUTLIER -52.03 -25.53 8.72 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.871 -1.059 . . . . 1.21 111.54 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -76.65 -38.05 55.26 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.537 -0.301 . . . . 1.8600000000000001 110.717 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.66 -52.79 18.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.578 0.227 . . . . 2.1200000000000001 110.54 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.48 -33.81 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.098 -0.501 . . . . 0.92000000000000004 111.123 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.66 -57.59 10.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.511 -0.768 . . . . 1.02 111.354 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.54 -40.07 86.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.431 -0.804 . . . . 2.4500000000000002 110.819 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -60.07 -42.76 95.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.051 -0.522 . . . . 1.78 111.518 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.67 -23.43 36.89 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.407 -0.36 . . . . 1.1100000000000001 111.915 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.22 27.19 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.864 -0.684 . . . . 1.1699999999999999 112.514 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.41 ' HB ' ' OG1' ' A' ' 19' ' ' THR . 3.5 m -137.12 -173.0 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 C-N-CA 122.733 0.413 . . . . 1.0800000000000001 109.935 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.1 p -96.15 177.16 5.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.393 . . . . 1.9199999999999999 110.033 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -67.59 -18.9 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.374 -0.376 . . . . 0.96999999999999997 111.194 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -69.73 -41.69 74.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 2.23 111.106 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.41 ' OG1' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -66.21 -41.41 90.16 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.315 -0.402 . . . . 1.21 110.513 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.39 -33.41 61.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.484 0.659 . . . . 1.5900000000000001 110.919 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 58.0 m -82.75 -30.03 29.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.768 -0.651 . . . . 1.6000000000000001 112.154 -179.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -57.67 -24.67 57.88 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.017 0.747 . . . . 4.2699999999999996 113.017 -177.21 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.02 -46.41 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.936 -0.477 . . . . 1.76 111.793 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.67 -21.49 13.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 111.846 0.313 . . . . 1.8700000000000001 111.846 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -77.19 -59.07 2.93 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.24 -0.436 . . . . 1.6699999999999999 112.051 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -136.66 -29.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.183 0.438 . . . . 3.3399999999999999 112.183 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.58 65.39 0.47 Allowed 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.927 0.491 . . . . 1.8999999999999999 111.376 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 m -104.78 -142.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.1400000000000001 109.529 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.55 74.56 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.89 0.852 . . . . 3.8900000000000001 111.889 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' ' 22' ' ' ARG . 12.2 t -88.3 77.49 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 115.066 -0.97 . . . . 1.55 109.661 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 31.4 t 67.1 -40.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.278 0.986 . . . . 1.78 113.192 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 69.89 9.83 7.26 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 108.101 -1.074 . . . . 1.53 108.101 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.86 -38.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 113.969 -1.469 . . . . 4.2000000000000002 110.486 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -104.2 3.64 33.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.334 -0.546 . . . . 1.48 111.081 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -60.12 -57.11 14.25 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.238 -0.437 . . . . 3.46 110.119 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.462 ' H ' ' CD ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -64.79 -37.14 86.6 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.918 -0.583 . . . . 2.6400000000000001 109.768 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -54.17 -43.65 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 3.54 111.039 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.85 -43.74 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.719 0.637 . . . . 1.8400000000000001 110.348 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 42.2 mt-10 -60.35 -54.38 46.39 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.472 -0.785 . . . . 1.8400000000000001 110.674 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.63 78.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.479 -0.782 . . . . 1.25 111.15 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.33 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.575 -0.739 . . . . 1.0900000000000001 111.557 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.5 ttm -59.19 -39.13 81.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.719 . . . . 1.4399999999999999 111.384 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.81 23.79 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.14 -0.482 . . . . 1.3899999999999999 110.983 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -59.99 -55.0 39.43 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.918 0.71 . . . . 2.0800000000000001 112.918 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.2 mt -80.3 -12.94 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.27 0.47 . . . . 1.1899999999999999 112.27 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 72.91 105.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.358 0.599 . . . . 2.04 109.599 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 10.8 t80 -141.83 131.59 24.21 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.776 -0.647 . . . . 1.77 110.0 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 50' ' ' ASN . 4.6 tt -118.42 106.63 44.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.524 . . . . 2.0299999999999998 110.896 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -66.12 19.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.037 2.491 . . . . 0.92000000000000004 113.786 178.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 48' ' ' ILE . 22.4 m-80 59.84 -174.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.369 0.604 . . . . 1.55 111.235 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ptm85 -123.97 -33.21 3.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.252 0.549 . . . . 3.5299999999999998 111.558 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -120.93 -0.04 10.16 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.171 -0.468 . . . . 1.6499999999999999 112.261 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.07 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.09 0.472 . . . . 0.96999999999999997 110.495 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -86.64 6.89 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.742 -0.663 . . . . 1.6699999999999999 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -118.88 32.66 6.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.207 -0.452 . . . . 2.1200000000000001 112.015 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.451 HD22 HD23 ' B' ' 56' ' ' LEU . 16.1 tp -115.36 -30.06 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.529 0.681 . . . . 1.4399999999999999 111.3 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.53 23.34 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.046 -0.409 . . . . 1.8600000000000001 111.522 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.814 0 N-CA-C 111.403 -0.679 . . . . 2.7599999999999998 111.403 179.971 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p . . . . . 0 CA--C 1.557 1.25 0 CA-C-O 118.364 -0.827 . . . . 1.95 109.564 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.54 161.74 41.49 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 124.754 1.284 . . . . 1.74 108.62 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.19 -24.33 60.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.237 0.541 . . . . 1.27 111.205 -178.685 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -63.5 -27.89 69.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 1.1499999999999999 110.874 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.402 ' HB3' HD13 ' B' ' 45' ' ' LEU . 43.5 m-20 -62.53 -59.17 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 1.8100000000000001 110.587 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.58 -33.61 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.846 -0.616 . . . . 1.6000000000000001 111.473 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.35 71.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.166 -0.47 . . . . 1.22 111.324 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.71 -35.15 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.757 0.28 . . . . 2.73 111.757 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -65.29 -44.36 88.21 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.29 0.567 . . . . 1.71 111.249 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -84.61 -18.54 35.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.065 -0.516 . . . . 1.21 112.349 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.41 35.11 75.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 119.902 -1.142 . . . . 1.53 111.009 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 5.3 m -92.2 163.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 1.79 111.193 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -89.83 33.75 0.85 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.258 -0.428 . . . . 2.1600000000000001 111.55 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 67.46 -47.12 0.49 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.557 0.743 . . . . 2.1899999999999999 112.751 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.429 HE21 ' HB3' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -65.41 -24.78 67.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.26 0.624 . . . . 3.1699999999999999 111.844 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.56 76.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.871 0.693 . . . . 1.4099999999999999 112.871 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -35.61 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.817 0.673 . . . . 1.6200000000000001 112.817 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 2.9 p -63.21 -34.17 77.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.759 0.314 . . . . 1.8600000000000001 111.683 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.41 ' HD3' ' OE1' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -75.75 -37.17 59.56 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 112.535 0.568 . . . . 5.2400000000000002 112.535 -179.021 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.936 HG21 HG21 ' B' ' 38' ' ' VAL . 60.0 t -65.96 -34.45 70.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.353 0.597 . . . . 1.77 110.602 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 t -81.22 -29.63 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.056 -0.52 . . . . 1.97 110.375 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.83 -81.77 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.639 0.237 . . . . 3.75 111.639 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -154.1 88.84 1.26 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.219 0.533 . . . . 4.8200000000000003 111.146 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 110.79 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 2.5600000000000001 110.622 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -111.83 -45.61 3.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.206 -0.452 . . . . 3.7799999999999998 112.004 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.0 62.41 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.551 -0.46 . . . . 2.6899999999999999 111.819 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t -116.17 116.27 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.19 -1.041 . . . . 1.52 108.19 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' B' ' 35' ' ' ARG . 24.8 p -61.11 144.31 53.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.499 0.19 . . . . 1.8500000000000001 111.04 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.8 -33.21 34.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 1.48 111.414 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.0 -55.04 40.09 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.167 -0.469 . . . . 3.6800000000000002 111.499 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.09 -14.68 55.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.3 0.571 . . . . 1.8100000000000001 110.996 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.46 ' O ' HG22 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -67.48 -23.83 65.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.556 -0.747 . . . . 3.48 111.733 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' B' ' 37' ' ' LYS . 7.2 pt-20 -88.42 -31.83 18.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.137 0.494 . . . . 1.96 110.29 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 8.2 mmmt -61.25 -27.69 68.63 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.613 -0.721 . . . . 2.8199999999999998 112.061 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.936 HG21 HG21 ' B' ' 23' ' ' VAL . 29.5 m -73.12 -32.29 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.86 0.362 . . . . 1.4299999999999999 111.623 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.37 -46.28 87.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.34 -0.391 . . . . 2.27 110.883 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.19 -40.5 77.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.119 0.485 . . . . 1.26 110.764 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -69.15 -56.48 7.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.931 -0.577 . . . . 0.80000000000000004 112.508 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.41 ' HB2' ' HE3' ' B' ' 42' ' ' MET . 55.9 mtm -61.76 -29.76 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.82 0.674 . . . . 1.52 112.82 -177.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.04 -38.62 16.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.516 0.561 . . . . 1.0600000000000001 112.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.32 -48.6 69.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.899 0.38 . . . . 2.1899999999999999 111.883 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' B' ' 8' ' ' ASP . 96.7 mt -95.74 -2.84 47.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.426 -0.352 . . . . 1.28 111.709 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 55.26 67.62 0.99 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.144 -0.48 . . . . 1.8400000000000001 111.77 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -65.23 120.56 12.96 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.254 0.549 . . . . 1.28 111.369 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mt -117.32 121.9 31.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 108.625 -0.88 . . . . 1.3899999999999999 108.625 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.01 96.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.812 2.341 . . . . 1.3799999999999999 111.868 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -81.51 118.32 22.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.522 -0.763 . . . . 2.0800000000000001 111.406 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . 0.414 ' HE ' ' HB3' ' B' ' 51' ' ' ARG . 55.3 mtp180 -81.05 104.25 11.41 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 122.008 0.909 . . . . 3.4399999999999999 110.457 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -167.11 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.084 -1.416 . . . . 1.8999999999999999 108.032 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.52 5.27 28.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 1.21 110.5 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -88.05 -46.58 9.2 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.951 0.881 . . . . 1.74 109.055 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -71.04 -39.68 72.15 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.591 -1.186 . . . . 3.2799999999999998 109.513 179.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.451 HD23 HD22 ' A' ' 56' ' ' LEU . 13.6 tp -63.32 -27.28 69.21 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.004 -0.998 . . . . 1.6699999999999999 110.875 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.65 58.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.047 0.388 . . . . 2.1299999999999999 112.047 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.669 0 C-N-CA 120.867 -0.682 . . . . 2.1699999999999999 112.662 178.194 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.428 -1.533 0 N-CA-C 109.632 -0.507 . . . . 1.8400000000000001 109.632 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.552 ' HA ' ' CD1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -152.09 -168.41 3.06 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 124.245 0.966 . . . . 2.0899999999999999 110.389 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.688 HD12 ' HD1' ' A' ' 7' ' ' TYR . 2.0 pp -55.3 -8.1 0.29 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.899 1.074 . . . . 1.21 113.899 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.688 ' HD1' HD12 ' A' ' 6' ' ' LEU . 2.5 m-30 -81.64 -46.96 13.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.465 -0.569 . . . . 1.8600000000000001 109.465 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.6 -50.25 7.85 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.287 -0.869 . . . . 2.1200000000000001 111.978 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.76 -34.36 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.901 -0.59 . . . . 0.92000000000000004 111.201 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.75 -56.85 16.67 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.158 -0.474 . . . . 1.02 110.856 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.76 -39.43 80.96 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 110.238 -0.282 . . . . 2.4500000000000002 110.238 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.642 ' CD2' HD11 ' A' ' 45' ' ' LEU . 88.4 t80 -57.65 -54.96 41.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.11 -0.495 . . . . 1.78 110.387 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.1 -18.68 62.52 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.98 0.363 . . . . 1.1100000000000001 111.98 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.95 22.72 24.78 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 119.661 -1.257 . . . . 1.1699999999999999 112.435 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 m -132.07 -168.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.84 0.353 . . . . 1.0800000000000001 110.777 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -109.97 -179.9 3.92 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.464 -0.569 . . . . 1.9199999999999999 109.464 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CB ' HD13 ' A' ' 6' ' ' LEU . 19.9 p90 -79.16 -6.78 57.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.657 0.614 . . . . 0.96999999999999997 112.657 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -75.98 -34.67 59.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.392 0.615 . . . . 2.23 109.477 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -68.63 -42.8 77.52 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.605 -0.725 . . . . 1.21 109.822 179.327 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.79 -41.83 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.983 -0.553 . . . . 1.5900000000000001 109.892 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 t -55.76 -31.27 62.43 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.955 -0.566 . . . . 1.6000000000000001 110.6 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -80.97 -32.52 34.38 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.654 -0.419 . . . . 4.2699999999999996 111.02 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.494 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 53.2 t -69.49 -35.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 1.76 111.16 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 m -80.41 -20.3 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 CA-C-O 121.282 0.563 . . . . 1.8700000000000001 111.448 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -92.93 -56.12 3.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.349 -0.842 . . . . 1.6699999999999999 112.479 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.497 0.554 . . . . 3.3399999999999999 112.497 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . 62.56 27.94 16.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.516 0.674 . . . . 1.8999999999999999 110.844 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 p -88.13 -79.34 0.3 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.768 -0.651 . . . . 2.1400000000000001 111.479 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.45 88.19 6.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.934 0.397 . . . . 3.8900000000000001 111.116 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' A' ' 32' ' ' ALA . 57.0 t -124.03 83.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.959 -0.564 . . . . 1.55 110.223 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.7 m 64.58 -21.81 0.07 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.759 1.022 . . . . 1.78 113.759 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 74.07 -5.5 2.04 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.993 0.917 . . . . 1.53 110.49 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -128.31 -35.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 4.2000000000000002 111.182 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 27.55 7.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.238 0.542 . . . . 1.48 111.774 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.48 -48.32 14.12 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.704 -0.68 . . . . 3.46 111.201 -177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -19.79 39.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.441 -0.345 . . . . 2.6400000000000001 110.261 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -46.44 89.1 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.407 0.521 . . . . 3.54 112.407 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 t -57.23 -37.29 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.926 0.393 . . . . 1.8400000000000001 110.979 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -57.57 -42.38 82.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.985 0.422 . . . . 1.8400000000000001 111.26 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.12 -32.91 56.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.299 -0.864 . . . . 1.25 111.269 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.65 87.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.237 -0.438 . . . . 1.0900000000000001 111.099 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.9 mtm -61.01 -41.42 96.5 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.229 0.538 . . . . 1.4399999999999999 110.727 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.21 -29.34 62.74 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.858 -0.61 . . . . 1.3899999999999999 111.644 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -43.96 61.95 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.955 0.724 . . . . 2.0800000000000001 112.955 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.642 HD11 ' CD2' ' A' ' 12' ' ' TYR . 16.4 mt -87.47 -15.83 36.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.999 0.428 . . . . 1.1899999999999999 110.98 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 73.74 93.81 0.08 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.065 -1.087 . . . . 2.04 108.065 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 4.5 t80 -137.92 139.13 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.844 -1.071 . . . . 1.77 110.802 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 50' ' ' ASN . 36.8 mm -125.16 114.67 26.06 Favored Pre-proline 0 N--CA 1.445 -0.687 0 CA-C-N 115.852 -0.613 . . . . 2.0299999999999998 109.922 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -64.07 26.03 0.07 OUTLIER 'Trans proline' 0 N--CA 1.483 0.858 0 C-N-CA 123.787 2.992 . . . . 0.92000000000000004 114.424 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 48' ' ' ILE . 9.3 m-20 57.89 169.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.689 0.996 . . . . 1.55 113.689 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -113.72 -22.17 10.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.652 1.215 . . . . 3.5299999999999998 108.051 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -128.96 117.51 21.07 Favored 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.566 -1.652 . . . . 1.6499999999999999 107.136 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 178.68 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.693 -0.685 . . . . 0.96999999999999997 111.661 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 92.8 mt-30 -65.16 -14.65 61.11 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.228 -0.896 . . . . 1.6699999999999999 111.788 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' SG ' ' B' ' 52' ' ' CYS . 19.6 mp0 -91.9 17.7 8.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.124 0.488 . . . . 2.1200000000000001 110.826 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.28 11.06 4.94 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.091 0.472 . . . . 1.4399999999999999 110.973 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.45 141.48 28.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.467 -0.333 . . . . 1.8600000000000001 110.454 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.505 -0.58 0 C-N-CA 120.558 -0.829 . . . . 2.7599999999999998 112.236 179.424 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.5 m . . . . . 0 N--CA 1.439 -1.017 0 CA-C-O 121.016 0.436 . . . . 1.95 110.589 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 39.3 p -65.71 162.29 18.89 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.517 -0.765 . . . . 1.74 111.769 179.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.61 -14.2 62.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 1.27 111.573 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -71.65 -37.36 70.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.017 -1.105 . . . . 1.1499999999999999 108.017 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.92 -50.64 72.61 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.12 -0.945 . . . . 1.8100000000000001 109.171 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t -60.95 -50.7 79.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 114.423 -1.262 . . . . 1.6000000000000001 111.33 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.419 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -55.35 -48.43 74.24 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 123.069 0.231 . . . . 1.22 111.016 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.61 -41.63 92.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.579 0.704 . . . . 2.73 110.917 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -67.38 -32.94 74.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.508 -0.769 . . . . 1.71 112.562 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.85 -17.96 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.559 -0.291 . . . . 1.21 111.547 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.88 34.85 46.85 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 120.758 -0.734 . . . . 1.53 112.346 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.91 -168.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.516 0.158 . . . . 1.79 110.893 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.2 p -92.95 169.22 10.6 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.699 0.761 . . . . 2.1600000000000001 112.546 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -71.08 -16.64 62.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.285 -1.325 . . . . 2.1899999999999999 110.994 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -87.38 -54.78 4.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.23 0.538 . . . . 3.1699999999999999 110.402 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -28.12 56.75 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.305 0.854 . . . . 1.4099999999999999 113.305 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.442 ' O ' HG23 ' B' ' 24' ' ' VAL . 10.7 m -78.34 -32.48 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 N-CA-C 112.487 0.551 . . . . 1.6200000000000001 112.487 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -81.21 -36.27 30.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.335 0.588 . . . . 1.8600000000000001 111.679 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 27.2 mmm180 -72.41 -35.75 68.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.503 0.557 . . . . 5.2400000000000002 112.503 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.62 -17.89 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.606 0.566 . . . . 1.77 112.428 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 20' ' ' VAL . 92.5 t -57.39 -63.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.274 -0.269 . . . . 1.97 110.274 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -173.49 35.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.704 -0.48 . . . . 3.75 109.704 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -119.35 -27.63 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.798 -0.361 . . . . 4.8200000000000003 111.578 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . . . -146.74 145.41 29.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 2.5600000000000001 111.276 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.53 -4.81 22.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.055 0.455 . . . . 3.7799999999999998 110.029 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.98 40.48 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 2.6899999999999999 112.523 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.8 t -120.37 138.0 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 1.52 110.266 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -62.55 146.94 50.52 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.147 -0.478 . . . . 1.8500000000000001 110.043 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.68 88.45 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.065 -0.516 . . . . 1.48 111.545 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.08 -26.56 66.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.809 -0.632 . . . . 3.6800000000000002 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.3 m -87.31 -34.14 18.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.356 0.598 . . . . 1.8100000000000001 110.476 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.85 -28.15 64.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.678 -0.692 . . . . 3.48 111.852 -177.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.83 -35.19 72.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.139 0.495 . . . . 1.96 110.912 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -70.78 -44.78 65.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.566 -0.743 . . . . 2.8199999999999998 110.997 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.95 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.11 -0.495 . . . . 1.4299999999999999 111.308 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 7.5 mt-10 -66.08 -39.42 90.01 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.646 -0.501 . . . . 2.27 109.646 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.65 -37.18 80.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.944 0.402 . . . . 1.26 110.318 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.99 66.13 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.846 0.355 . . . . 0.80000000000000004 111.658 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . 0.528 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 12.9 ptp -65.82 -30.54 71.18 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.636 -0.425 . . . . 1.52 111.133 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.89 34.87 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.234 0.54 . . . . 1.0600000000000001 111.911 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -73.92 -41.28 62.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.553 -0.749 . . . . 2.1899999999999999 110.771 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.34 -1.03 57.32 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.833 -0.621 . . . . 1.28 112.519 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 57.07 61.88 2.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 1.8400000000000001 111.779 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.528 ' HB3' ' HB2' ' B' ' 42' ' ' MET . 26.0 t80 -69.94 106.89 3.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 120.987 0.422 . . . . 1.28 110.588 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 68.8 mt -109.14 131.96 21.5 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 107.641 -1.244 . . . . 1.3899999999999999 107.641 176.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.34 101.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.771 2.314 . . . . 1.3799999999999999 111.97 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -71.7 119.89 16.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.782 -1.099 . . . . 2.0800000000000001 111.675 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -84.74 -179.13 7.04 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.133 -1.062 . . . . 3.4399999999999999 108.133 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 61.8 m 60.38 46.48 9.89 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.403 0.62 . . . . 1.8999999999999999 109.562 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 171.25 -25.19 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.862 -1.517 . . . . 1.21 109.465 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -90.05 -35.51 15.44 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 125.034 1.459 . . . . 1.74 109.215 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 61.0 tt0 -85.47 -16.41 39.71 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.734 -0.839 . . . . 3.2799999999999998 108.734 178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 9.5 tp -90.67 -35.31 15.02 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.584 -1.189 . . . . 1.6699999999999999 110.334 -179.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.66 -27.03 61.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.025 -0.534 . . . . 2.1299999999999999 110.538 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.218 0 CA-C-N 115.475 -0.784 . . . . 2.1699999999999999 111.551 178.84 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 N--CA 1.422 -1.874 0 N-CA-C 108.888 -0.782 . . . . 1.8400000000000001 108.888 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.527 ' OG1' HD22 ' A' ' 6' ' ' LEU . 2.5 t -108.05 162.14 14.32 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.94 -0.573 . . . . 2.0899999999999999 110.704 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -54.95 -12.99 0.94 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.735 0.643 . . . . 1.21 112.735 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -67.34 -31.96 72.58 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.511 0.672 . . . . 1.8600000000000001 110.034 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.48 -51.16 12.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.598 0.713 . . . . 2.1200000000000001 110.823 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.56 -36.68 74.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 0.92000000000000004 110.984 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.44 -44.09 89.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 1.02 111.351 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -41.76 97.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.058 0.456 . . . . 2.4500000000000002 110.372 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.24 -32.7 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.268 -0.878 . . . . 1.78 110.784 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.13 -18.11 47.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.829 0.347 . . . . 1.1100000000000001 111.927 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.74 22.58 52.88 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.104 -0.57 . . . . 1.1699999999999999 113.295 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.24 -173.21 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 117.129 0.465 . . . . 1.0800000000000001 110.845 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -85.61 160.17 19.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 1.9199999999999999 110.971 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 32.6 p90 -62.17 -18.57 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.555 0.576 . . . . 0.96999999999999997 112.555 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 41.5 tp60 -70.57 -22.97 62.52 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.534 -0.543 . . . . 2.23 109.534 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.622 ' HA ' ' NH1' ' A' ' 22' ' ' ARG . 88.2 m -77.88 -32.78 52.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.939 0.4 . . . . 1.21 110.017 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 t -77.55 -35.87 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.753 -0.832 . . . . 1.5900000000000001 108.753 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -75.26 -16.38 60.45 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.854 0.835 . . . . 1.6000000000000001 109.332 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.622 ' NH1' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -74.04 -42.56 60.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 4.2699999999999996 112.623 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 25.4 m -73.23 -17.7 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.176 0.806 . . . . 1.76 113.176 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.69 -36.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.161 0.505 . . . . 1.8700000000000001 111.461 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -95.32 -32.87 12.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.335 0.865 . . . . 1.6699999999999999 113.335 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -119.79 -60.86 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.087 -0.245 . . . . 3.3399999999999999 110.952 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 65.83 24.36 11.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.693 0.621 . . . . 1.8999999999999999 112.224 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -116.79 -65.56 1.17 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.903 -0.319 . . . . 2.1400000000000001 111.332 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.03 73.06 5.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.236 0.541 . . . . 3.8900000000000001 111.286 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 22' ' ' ARG . 2.2 t -122.26 44.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.862 -0.422 . . . . 1.55 109.862 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.31 1.82 1.73 Allowed 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.364 -0.38 . . . . 1.78 111.844 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.94 -52.59 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.02 0.928 . . . . 1.53 112.262 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 28.1 mmtp -67.57 -50.51 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.038 0.535 . . . . 4.2000000000000002 112.192 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -73.09 -14.72 61.45 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.274 0.472 . . . . 1.48 112.274 -178.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 1.8 tmt_? -52.09 -49.87 62.72 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 124.127 0.892 . . . . 3.46 112.132 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.74 -31.48 46.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.216 -0.902 . . . . 2.6400000000000001 111.359 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -53.75 -56.3 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.735 0.647 . . . . 3.54 112.096 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 42' ' ' MET . 6.4 m -65.59 -27.91 42.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 112.507 0.558 . . . . 1.8400000000000001 112.507 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 41.3 mt-10 -69.2 -40.05 78.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.853 0.358 . . . . 1.8400000000000001 110.28 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.05 72.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.162 -0.472 . . . . 1.25 111.251 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.64 88.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 1.0900000000000001 111.429 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.423 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 1.6 ptm -63.87 -34.87 78.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.117 -0.492 . . . . 1.4399999999999999 111.881 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.45 32.63 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.918 -0.488 . . . . 1.3899999999999999 109.809 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.23 -40.91 87.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.307 -0.86 . . . . 2.0800000000000001 111.23 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.24 5.4 45.0 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.182 -0.463 . . . . 1.1899999999999999 111.791 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.59 31.91 21.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.659 0.743 . . . . 2.04 110.635 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.58 143.41 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.011 -0.995 . . . . 1.77 110.764 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 50' ' ' ASN . 1.7 pt -135.34 109.78 10.49 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.289 -0.634 . . . . 2.0299999999999998 109.289 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.97 21.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.485 1.027 0 C-N-CA 123.222 2.615 . . . . 0.92000000000000004 113.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' A' ' 48' ' ' ILE . 40.6 m-80 53.85 -150.87 0.37 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.304 -0.407 . . . . 1.55 110.131 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.39 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.608 -0.886 . . . . 3.5299999999999998 108.608 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -30.49 53.09 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.312 -0.625 . . . . 1.6499999999999999 109.312 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.3 -28.07 67.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.084 -0.507 . . . . 0.96999999999999997 111.462 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -71.83 -11.22 60.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.01 -0.541 . . . . 1.6699999999999999 110.352 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -102.08 26.33 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.216 0.531 . . . . 2.1200000000000001 110.721 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.425 HD23 HD23 ' B' ' 56' ' ' LEU . 7.5 tp -138.16 60.97 1.6 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 1.4399999999999999 109.57 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.5 153.29 17.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 1.8600000000000001 110.453 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.44 -1.099 0 C-N-CA 120.51 -0.853 . . . . 2.7599999999999998 113.244 179.593 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p . . . . . 0 N--CA 1.447 -0.598 0 N-CA-C 109.079 -0.711 . . . . 1.95 109.079 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' B' ' 8' ' ' ASP . 0.0 OUTLIER -65.96 139.68 58.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.999 -1.0 . . . . 1.74 112.538 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -64.64 -31.93 73.37 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.327 -0.851 . . . . 1.27 109.491 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -56.17 -40.38 73.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.663 -0.495 . . . . 1.1499999999999999 109.663 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.9 m-20 -56.72 -51.13 70.01 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.734 0.778 . . . . 1.8100000000000001 110.532 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.36 -48.99 79.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 CA-C-N 114.491 -1.231 . . . . 1.6000000000000001 112.027 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.79 88.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.968 0.413 . . . . 1.22 111.85 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.17 -44.08 97.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.229 -0.441 . . . . 2.73 110.281 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.41 -33.75 76.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.945 -0.571 . . . . 1.71 111.273 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.49 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.321 0.489 . . . . 1.21 112.321 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.65 38.36 91.43 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 121.722 -0.275 . . . . 1.53 112.586 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 32.5 m -131.43 -170.13 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.189 -0.3 . . . . 1.79 110.189 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -78.06 174.13 11.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.26 0.553 . . . . 2.1600000000000001 110.699 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -26.49 37.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.523 -0.762 . . . . 2.1899999999999999 110.022 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.645 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -79.76 -13.7 59.25 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.859 -0.336 . . . . 3.1699999999999999 111.224 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.64 -20.9 23.12 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 112.578 0.585 . . . . 1.4099999999999999 112.578 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -32.82 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 C-N-CA 120.737 -0.385 . . . . 1.6200000000000001 111.929 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -44.18 17.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.282 0.563 . . . . 1.8600000000000001 109.888 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.645 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 2.2 ttt180 -44.11 -37.13 2.91 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.791 1.236 . . . . 5.2400000000000002 113.556 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 p -78.47 -14.74 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 112.059 0.392 . . . . 1.77 112.059 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.8 -72.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.015 0.436 . . . . 1.97 110.688 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -164.56 79.03 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.773 -0.649 . . . . 3.75 109.646 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -151.68 -66.3 0.18 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.182 0.515 . . . . 4.8200000000000003 110.768 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.18 125.14 25.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.977 -0.556 . . . . 2.5600000000000001 110.838 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -89.74 -18.75 25.76 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.448 0.642 . . . . 3.7799999999999998 110.597 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 4.1 t-80 -69.04 66.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.594 -1.184 . . . . 2.6899999999999999 111.319 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 t -126.49 146.43 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.263 -0.88 . . . . 1.52 109.189 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . 0.659 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 7.8 m -62.85 138.35 58.51 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.601 -0.518 . . . . 1.8500000000000001 109.601 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' B' ' 35' ' ' ARG . . . -58.92 -39.38 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 1.48 110.751 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.511 ' HA ' ' OE1' ' B' ' 36' ' ' GLU . 2.8 tptp -66.69 -30.03 70.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 3.6800000000000002 111.563 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.659 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -82.25 -40.2 21.93 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.358 -0.383 . . . . 1.8100000000000001 111.091 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' B' ' 32' ' ' ALA . 14.9 ptm180 -78.47 -21.89 48.37 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.851 0.686 . . . . 3.48 112.851 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' B' ' 33' ' ' LYS . 11.9 pt-20 -64.08 -34.52 78.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.104 0.478 . . . . 1.96 110.5 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.14 -38.53 60.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.214 0.53 . . . . 2.8199999999999998 110.595 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 34' ' ' THR . 21.7 t -64.39 -46.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 1.4299999999999999 111.026 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.38 -38.41 80.43 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 123.8 0.687 . . . . 2.27 111.058 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.42 0.8 7.42 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 112.128 0.418 . . . . 1.26 112.128 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.29 -45.68 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.119 0.485 . . . . 0.80000000000000004 110.735 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -30.11 69.9 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.319 -0.401 . . . . 1.52 111.733 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.87 -23.18 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.302 0.572 . . . . 1.0600000000000001 111.03 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.11 -24.41 47.51 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.107 -0.951 . . . . 2.1899999999999999 111.684 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -114.56 4.14 15.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.711 0.291 . . . . 1.28 111.143 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 58.9 t30 56.5 73.81 0.43 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.526 -0.761 . . . . 1.8400000000000001 110.132 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -78.92 94.82 5.29 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.231 -0.441 . . . . 1.28 111.265 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -98.25 141.21 22.58 Favored Pre-proline 0 N--CA 1.442 -0.827 0 N-CA-C 107.037 -1.468 . . . . 1.3899999999999999 107.037 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.91 106.58 0.11 Allowed 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 121.889 1.726 . . . . 1.3799999999999999 112.158 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . 0.429 ' O ' ' HG2' ' B' ' 54' ' ' GLN . 63.6 t30 -59.71 119.43 7.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.98 -0.554 . . . . 2.0800000000000001 111.647 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -82.37 162.86 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.67 . . . . 3.4399999999999999 109.783 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m 61.99 51.54 3.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.374 0.607 . . . . 1.8999999999999999 110.4 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 179.12 -24.62 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 123.262 1.506 . . . . 1.21 108.294 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 50' ' ' ASN . 0.8 OUTLIER -88.45 -23.73 23.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.551 -1.204 . . . . 1.74 108.645 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -71.9 -40.13 69.07 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.168 -1.378 . . . . 3.2799999999999998 109.68 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.425 HD23 HD23 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -74.96 -31.45 61.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.683 -1.144 . . . . 1.6699999999999999 109.946 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.52 74.86 1.28 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 121.152 0.501 . . . . 2.1299999999999999 110.614 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.033 0 C-N-CA 120.832 -0.699 . . . . 2.1699999999999999 112.747 179.713 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 45' ' ' LEU . 2.7 t . . . . . 0 N--CA 1.444 -0.77 0 CA-C-O 121.566 0.698 . . . . 1.8400000000000001 110.82 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -129.64 176.06 8.31 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.383 -0.826 . . . . 2.0899999999999999 109.016 179.017 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 1.9 pp -49.97 -35.54 24.69 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.704 0.631 . . . . 1.21 112.704 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.458 ' N ' HD12 ' A' ' 6' ' ' LEU . 28.5 m-85 -64.36 -34.84 79.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.479 0.181 . . . . 1.8600000000000001 111.482 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.6 -40.25 29.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.272 -0.422 . . . . 2.1200000000000001 110.491 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' THR . 3.6 t -68.29 -35.16 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.082 0.468 . . . . 0.92000000000000004 110.884 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.08 -54.44 46.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.434 -0.803 . . . . 1.02 111.544 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -64.27 -36.95 85.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.044 0.449 . . . . 2.4500000000000002 110.69 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.417 ' CG ' HD11 ' A' ' 45' ' ' LEU . 50.6 t80 -63.45 -50.28 70.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.205 0.526 . . . . 1.78 110.692 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -73.41 -26.39 60.94 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.122 -0.631 . . . . 1.1100000000000001 111.612 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.06 29.87 21.73 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.499 -0.858 . . . . 1.1699999999999999 111.969 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 13' ' ' ALA . 6.4 m -132.06 -173.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 N-CA-C 109.729 -0.471 . . . . 1.0800000000000001 109.729 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.7 p -73.98 164.13 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.971 0.415 . . . . 1.9199999999999999 110.187 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.628 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 4.7 p90 -85.0 7.8 20.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.038 -0.528 . . . . 0.96999999999999997 111.519 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -115.08 -10.75 12.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 120.455 -0.498 . . . . 2.23 111.503 -179.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -73.05 -42.52 63.03 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 117.818 0.281 . . . . 1.21 110.852 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.98 -35.03 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.165 0.507 . . . . 1.5900000000000001 111.733 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -85.2 -14.89 45.44 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.786 -0.572 . . . . 1.6000000000000001 110.776 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 14.9 tpt180 -70.46 -26.29 63.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.946 -0.57 . . . . 4.2699999999999996 111.028 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.72 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 1.76 110.6 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.84 -22.67 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.637 -0.711 . . . . 1.8700000000000001 112.369 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -77.16 -64.26 1.18 Allowed 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.541 -0.754 . . . . 1.6699999999999999 112.04 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -146.07 -11.96 0.49 Allowed 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.862 0.69 . . . . 3.3399999999999999 112.862 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.69 49.32 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.196 0.599 . . . . 1.8999999999999999 111.623 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.51 -60.31 1.55 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.4 -0.818 . . . . 2.1400000000000001 111.905 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -79.65 94.17 5.64 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 110.036 -0.357 . . . . 3.8900000000000001 110.036 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.417 ' CG1' ' HG2' ' A' ' 35' ' ' ARG . 25.3 t -138.01 -31.21 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.619 -0.719 . . . . 1.55 111.064 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 3.6 t 63.94 5.13 2.22 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.808 0.843 . . . . 1.78 111.604 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.97 -43.03 0.55 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.476 0.71 . . . . 1.53 111.619 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' SER . 20.8 mtmt -58.61 -53.01 63.12 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 122.653 0.381 . . . . 4.2000000000000002 111.252 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.61 60.08 6.02 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.396 0.517 . . . . 1.48 112.396 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HG2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -99.6 -48.67 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 3.46 111.54 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -39.57 71.49 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.519 -0.309 . . . . 2.6400000000000001 111.808 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 123.654 0.596 . . . . 3.54 112.078 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.43 -45.28 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.875 0 N-CA-C 112.197 0.443 . . . . 1.8400000000000001 112.197 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.69 -42.5 83.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.665 -0.698 . . . . 1.8400000000000001 111.809 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.01 63.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.632 -0.713 . . . . 1.25 111.218 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -51.71 64.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.923 -0.58 . . . . 1.0900000000000001 112.403 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.0 ptp -65.16 -26.88 68.36 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.729 0.64 . . . . 1.4399999999999999 112.729 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -43.12 14.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.403 0.52 . . . . 1.3899999999999999 112.403 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.11 -42.99 99.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.404 0.89 . . . . 2.0800000000000001 113.404 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 4' ' ' VAL . 96.0 mt -89.09 -11.39 44.16 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.642 0.608 . . . . 1.1899999999999999 112.642 -177.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 2.8 t-20 68.13 97.03 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.071 -1.085 . . . . 2.04 108.071 -177.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.525 ' CE2' ' HG3' ' A' ' 49' ' ' PRO . 13.8 t80 -131.6 134.33 45.92 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.063 -0.517 . . . . 1.77 111.995 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.25 104.66 43.09 Favored Pre-proline 0 N--CA 1.456 -0.132 0 N-CA-C 108.431 -0.952 . . . . 2.0299999999999998 108.431 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 81.7 Cg_exo -58.57 4.22 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 124.231 3.287 . . . . 0.92000000000000004 115.728 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.408 HD21 ' NE2' ' B' ' 55' ' ' GLN . 0.9 OUTLIER 68.13 168.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.323 1.058 . . . . 1.55 113.58 177.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.58 -16.87 1.76 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.236 -1.347 . . . . 3.5299999999999998 109.098 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.629 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -99.44 -51.25 3.83 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.233 -0.894 . . . . 1.6499999999999999 112.632 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.32 64.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.029 0.442 . . . . 0.96999999999999997 111.932 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -71.67 8.02 1.28 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.557 -0.747 . . . . 1.6699999999999999 112.088 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -128.72 22.28 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.872 0.367 . . . . 2.1200000000000001 111.245 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 tp -110.61 -4.17 15.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.083 -0.508 . . . . 1.4399999999999999 110.965 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.95 12.2 7.21 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.281 -0.567 . . . . 1.8600000000000001 112.341 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.315 -0.597 0 N-CA-C 111.666 -0.574 . . . . 2.7599999999999998 111.666 -178.312 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.433 -1.324 0 N-CA-C 107.929 -1.137 . . . . 1.95 107.929 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 47.9 p -133.1 168.57 18.26 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 123.633 0.583 . . . . 1.74 109.684 -178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' B' ' 6' ' ' LEU . 1.4 mt -75.25 -14.1 60.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.834 0.826 . . . . 1.27 109.053 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.82 -33.64 45.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.958 -1.019 . . . . 1.1499999999999999 108.816 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.0 -39.68 93.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.058 -0.974 . . . . 1.8100000000000001 110.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.26 -43.4 97.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.386 -1.279 . . . . 1.6000000000000001 110.424 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.16 -24.07 62.18 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.768 0.794 . . . . 1.22 110.652 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.16 -53.72 11.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.705 -1.134 . . . . 2.73 110.558 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -62.74 -50.21 71.97 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.447 0.536 . . . . 1.71 112.447 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.409 ' HB2' ' HA ' ' B' ' 38' ' ' VAL . . . -67.68 -15.36 63.6 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 113.53 0.937 . . . . 1.21 113.53 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.6 41.24 44.28 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 111.292 -0.723 . . . . 1.53 111.292 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.27 -174.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.318 0.247 . . . . 1.79 110.577 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' B' ' 18' ' ' GLN . 0.8 OUTLIER -110.11 172.28 6.96 Favored 'General case' 0 N--CA 1.426 -1.634 0 O-C-N 123.87 0.731 . . . . 2.1600000000000001 109.695 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -77.24 61.52 2.13 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.756 0.822 . . . . 2.1899999999999999 109.525 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.42 ' H ' ' H ' ' B' ' 19' ' ' THR . 1.0 OUTLIER -161.56 -23.05 0.05 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.905 -1.146 . . . . 3.1699999999999999 107.905 178.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . 0.42 ' H ' ' H ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -94.78 -15.06 24.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.796 -1.093 . . . . 1.4099999999999999 109.036 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 m -88.01 -22.65 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 113.161 0.8 . . . . 1.6200000000000001 113.161 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.8 -60.74 2.25 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.145 -0.934 . . . . 1.8600000000000001 109.55 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.427 ' HD2' HG22 ' B' ' 30' ' ' VAL . 16.4 ptt180 -59.24 -18.96 41.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.254 0.835 . . . . 5.2400000000000002 113.254 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.655 HG21 ' HB ' ' B' ' 38' ' ' VAL . 1.4 p -78.6 -14.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.317 -0.553 . . . . 1.77 110.833 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.99 -69.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 123.455 0.472 . . . . 1.97 111.185 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -152.71 27.04 0.56 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.968 0.413 . . . . 3.75 110.698 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -138.46 46.01 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.485 0.66 . . . . 4.8200000000000003 110.566 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.99 88.11 4.43 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.741 -1.118 . . . . 2.5600000000000001 110.754 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.9 p -77.59 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.41 -0.359 . . . . 3.7799999999999998 110.373 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -123.95 43.16 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.368 -0.234 . . . . 2.6899999999999999 110.368 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . 0.427 HG22 ' HD2' ' B' ' 22' ' ' ARG . 14.9 t -80.24 138.46 19.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.604 -0.517 . . . . 1.52 109.604 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.4 t -61.1 117.5 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.317 0.385 . . . . 1.8500000000000001 110.407 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -25.55 50.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.845 -0.616 . . . . 1.48 112.087 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 93.6 mttt -59.39 -53.86 53.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.514 0.673 . . . . 3.6800000000000002 111.114 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.547 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.3 OUTLIER -80.17 -26.4 39.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 1.8100000000000001 111.882 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -31.01 71.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 3.48 111.583 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 4.2 pt-20 -77.94 -26.8 49.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.248 -0.282 . . . . 1.96 110.468 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -73.51 -40.24 64.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.911 0.386 . . . . 2.8199999999999998 110.665 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.655 ' HB ' HG21 ' B' ' 23' ' ' VAL . 2.2 t -67.68 -35.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 119.987 -0.685 . . . . 1.4299999999999999 109.281 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.65 -40.12 80.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.76 -0.459 . . . . 2.27 109.76 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.73 86.34 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.164 -0.68 . . . . 1.26 109.164 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.8 95.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.091 0.472 . . . . 0.80000000000000004 110.948 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.9 mtm -63.07 -38.79 92.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 1.52 111.252 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.07 -36.18 66.81 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.488 0.492 . . . . 1.0600000000000001 111.283 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.43 -48.34 56.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.277 -0.42 . . . . 2.1899999999999999 111.532 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.22 -2.92 58.57 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.105 0.409 . . . . 1.28 112.105 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.06 52.67 5.0 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.703 0.763 . . . . 1.8400000000000001 109.451 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -75.64 103.99 5.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.317 -0.856 . . . . 1.28 110.973 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mt -116.37 131.84 23.62 Favored Pre-proline 0 C--N 1.315 -0.898 0 N-CA-C 107.62 -1.252 . . . . 1.3899999999999999 107.62 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -30.32 105.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.197 3.265 . . . . 1.3799999999999999 113.302 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 36.6 t30 -63.39 136.44 57.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.263 -0.88 . . . . 2.0800000000000001 111.553 -178.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.9 179.48 7.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.589 -0.732 . . . . 3.4399999999999999 109.771 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.0 m 56.33 36.54 27.67 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 122.259 1.028 . . . . 1.8999999999999999 109.983 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.431 ' H ' ' H ' ' B' ' 54' ' ' GLN . . . -168.27 -18.02 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 113.902 -1.499 . . . . 1.21 110.722 -178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . 0.431 ' H ' ' H ' ' B' ' 53' ' ' ALA . 6.4 mm-40 -85.85 -32.28 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.516 -0.766 . . . . 1.74 109.451 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . 0.408 ' NE2' HD21 ' A' ' 50' ' ' ASN . 0.1 OUTLIER -82.83 -27.49 30.83 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.807 -0.812 . . . . 3.2799999999999998 108.807 179.385 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . . . . . . . . . 13.4 tp -81.64 -45.68 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.541 -1.209 . . . . 1.6699999999999999 110.693 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.22 108.49 19.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.394 0.616 . . . . 2.1299999999999999 110.687 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.314 -0.668 0 C-N-CA 119.885 -1.15 . . . . 2.1699999999999999 111.79 179.703 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 45' ' ' LEU . 34.6 m . . . . . 0 N--CA 1.434 -1.225 0 CA-C-O 121.242 0.544 . . . . 1.8400000000000001 111.311 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.443 ' OG1' ' HG ' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -96.61 169.48 9.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.173 -0.467 . . . . 2.0899999999999999 110.85 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -46.07 -26.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.39 0.676 . . . . 1.21 112.428 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -62.49 -40.93 98.27 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.704 0.288 . . . . 1.8600000000000001 111.265 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.61 -35.08 62.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.208 0.528 . . . . 2.1200000000000001 110.682 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.16 -37.3 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.236 -0.893 . . . . 0.92000000000000004 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -53.24 60.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.502 -0.772 . . . . 1.02 110.846 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -62.09 -44.9 95.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 2.4500000000000002 110.425 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -58.23 -38.82 77.59 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.887 -1.052 . . . . 1.78 111.804 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.83 -15.02 28.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 1.1100000000000001 111.863 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.25 31.08 32.18 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 120.558 -0.829 . . . . 1.1699999999999999 113.538 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.07 -164.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.346 -0.613 . . . . 1.0800000000000001 109.346 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.7 p -89.32 170.45 10.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.535 -0.542 . . . . 1.9199999999999999 109.535 179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.543 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 26.0 p90 -82.4 22.3 0.86 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.085 -0.507 . . . . 0.96999999999999997 111.009 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -117.8 -32.7 4.74 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.641 -0.709 . . . . 2.23 109.944 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -37.95 81.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.591 0.71 . . . . 1.21 109.407 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.32 -31.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.138 -0.937 . . . . 1.5900000000000001 112.15 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -81.71 -19.82 40.71 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.702 0.763 . . . . 1.6000000000000001 109.93 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -60.81 -34.74 74.98 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.155 -0.929 . . . . 4.2699999999999996 111.364 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 47.8 t -73.75 -56.33 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 115.627 -0.715 . . . . 1.76 111.4 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -19.98 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 113.297 0.851 . . . . 1.8700000000000001 113.297 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -96.01 -57.88 2.24 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.747 0.647 . . . . 1.6699999999999999 112.747 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -104.79 -54.59 2.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.228 0.455 . . . . 3.3399999999999999 112.228 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . 64.5 38.04 7.69 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.821 -0.627 . . . . 1.8999999999999999 110.757 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -108.69 -75.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.05 0.452 . . . . 2.1400000000000001 110.779 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -109.43 78.66 1.15 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.972 -0.558 . . . . 3.8900000000000001 110.846 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 32' ' ' ALA . 20.7 t -93.89 58.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 1.55 109.96 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t 64.81 -18.67 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.531 -0.759 . . . . 1.78 112.774 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.52 -49.27 0.69 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.732 0.813 . . . . 1.53 111.105 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -88.89 -4.8 58.36 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.4 -0.364 . . . . 4.2000000000000002 110.363 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.608 HG23 ' HE2' ' A' ' 37' ' ' LYS . 1.1 m -133.74 45.72 2.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.516 0.674 . . . . 1.48 111.408 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -102.35 -42.56 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.275 0.56 . . . . 3.46 110.217 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -39.5 77.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.716 -0.675 . . . . 2.6400000000000001 110.312 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.608 ' HE2' HG23 ' A' ' 34' ' ' THR . 12.0 mtmm -58.2 -43.65 87.71 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.497 -0.774 . . . . 3.54 112.783 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -74.59 -33.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.801 0.297 . . . . 1.8400000000000001 111.801 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.0 -40.57 83.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.303 0.573 . . . . 1.8400000000000001 110.136 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.3 -39.85 71.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.606 . . . . 1.25 110.577 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.12 97.3 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.941 -0.572 . . . . 1.0900000000000001 111.531 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ptm -65.27 -35.45 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.864 -0.334 . . . . 1.4399999999999999 111.535 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.74 63.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.683 0.277 . . . . 1.3899999999999999 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.68 -49.55 74.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.397 0.618 . . . . 2.0800000000000001 112.002 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB3' HG21 ' A' ' 4' ' ' VAL . 53.4 mt -86.2 2.6 46.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.369 -0.832 . . . . 1.1899999999999999 112.138 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t30 57.03 36.99 28.46 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.582 0.706 . . . . 2.04 109.188 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 33.0 t80 -66.85 142.14 57.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.83 -0.623 . . . . 1.77 110.848 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.91 110.75 13.18 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.991 -1.004 . . . . 2.0299999999999998 109.89 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -55.36 0.58 0.12 Allowed 'Trans proline' 0 N--CA 1.484 0.961 0 C-N-CA 123.047 2.498 . . . . 0.92000000000000004 115.659 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 58.81 -168.34 0.14 Allowed 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.086 0.469 . . . . 1.55 111.604 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -148.49 -35.7 0.2 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.411 0.624 . . . . 3.5299999999999998 109.775 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' ' CA ' ' B' ' 52' ' ' CYS . 63.6 m -64.28 -49.47 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.548 -0.751 . . . . 1.6499999999999999 111.504 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.58 75.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.913 -0.585 . . . . 0.96999999999999997 111.49 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.3 mt-30 -62.56 -20.88 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 1.6699999999999999 112.536 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.26 15.39 22.37 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.26 0.553 . . . . 2.1200000000000001 111.064 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.738 HD22 HD23 ' B' ' 56' ' ' LEU . 4.8 tp -106.67 -29.11 9.79 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.735 -0.469 . . . . 1.4399999999999999 109.735 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -64.55 0.84 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.801 0.667 . . . . 1.8600000000000001 112.801 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.223 -0.592 0 C-N-CA 120.127 -1.035 . . . . 2.7599999999999998 113.035 179.208 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.446 -0.641 0 N-CA-C 109.69 -0.485 . . . . 1.95 109.69 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . 0.406 ' O ' HG23 ' B' ' 9' ' ' VAL . 62.3 p -144.95 172.2 13.38 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.035 -1.098 . . . . 1.74 108.035 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 6' ' ' LEU . 14.2 mt -71.58 -13.41 61.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.277 0.56 . . . . 1.27 110.643 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -83.49 -34.16 25.42 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.237 0.542 . . . . 1.1499999999999999 109.924 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.72 -44.93 69.33 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.7 -0.682 . . . . 1.8100000000000001 110.544 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 5' ' ' THR . 19.7 t -59.95 -36.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.838 -1.074 . . . . 1.6000000000000001 110.499 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.44 72.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.065 -0.516 . . . . 1.22 111.72 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.69 -51.24 65.94 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.464 -0.789 . . . . 2.73 109.645 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.18 -39.03 88.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.521 -0.763 . . . . 1.71 111.061 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.515 ' O ' ' HE2' ' B' ' 37' ' ' LYS . . . -69.97 -20.76 63.29 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.518 0.511 . . . . 1.21 111.679 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.98 71.71 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 121.289 -0.481 . . . . 1.53 113.009 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -137.48 178.99 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 122.551 -0.382 . . . . 1.79 110.13 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -91.5 177.72 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.861 0.839 . . . . 2.1600000000000001 110.778 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -76.82 113.17 14.19 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.661 -0.7 . . . . 2.1899999999999999 109.338 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 158.15 -58.8 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.65 1.18 . . . . 3.1699999999999999 108.938 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -34.11 76.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.354 -0.839 . . . . 1.4099999999999999 112.125 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.527 ' O ' HG12 ' B' ' 23' ' ' VAL . 18.4 t -77.68 -39.06 26.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.787 0.662 . . . . 1.6200000000000001 112.787 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -25.25 60.49 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.491 0.552 . . . . 1.8600000000000001 112.491 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.88 -25.13 28.17 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 112.108 0.41 . . . . 5.2400000000000002 112.108 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . 0.527 HG12 ' O ' ' B' ' 20' ' ' VAL . 4.4 p -69.52 -24.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.657 -0.417 . . . . 1.77 111.178 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.21 -3.22 10.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 1.97 109.536 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -117.01 -73.88 0.63 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.545 -0.298 . . . . 3.75 111.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -165.09 77.39 0.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.294 0.569 . . . . 4.8200000000000003 110.699 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.56 96.4 9.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.415 -0.811 . . . . 2.5600000000000001 110.404 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.3 m -112.23 -41.48 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.731 -0.668 . . . . 3.7799999999999998 110.257 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.99 32.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 2.6899999999999999 111.519 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 t -118.46 144.99 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.189 -0.46 . . . . 1.52 109.768 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -65.76 -112.89 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.41 0.624 . . . . 1.8500000000000001 112.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.63 -55.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.053 -0.404 . . . . 1.48 110.728 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -50.57 -41.98 54.99 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.769 0.668 . . . . 3.6800000000000002 112.78 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -19.48 35.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.078 0.466 . . . . 1.8100000000000001 111.615 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -73.51 -38.44 65.33 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.785 -0.643 . . . . 3.48 111.748 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -73.5 -31.18 63.59 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.48 -0.327 . . . . 1.96 110.92 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . 0.515 ' HE2' ' O ' ' B' ' 13' ' ' ALA . 49.2 mtpt -64.86 -42.49 94.82 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 122.282 -0.261 . . . . 2.8199999999999998 110.789 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.31 -31.33 38.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 120.531 -0.467 . . . . 1.4299999999999999 110.888 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.53 -48.43 77.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.382 -0.969 . . . . 2.27 108.382 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.93 91.97 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.417 -0.81 . . . . 1.26 110.655 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' B' ' 13' ' ' ALA . . . -60.93 -51.54 68.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.954 -0.567 . . . . 0.80000000000000004 111.838 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -66.23 -29.11 69.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 121.189 -0.204 . . . . 1.52 111.281 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.03 -40.07 32.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.586 -0.279 . . . . 1.0600000000000001 111.081 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.23 -51.23 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 2.1899999999999999 110.782 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -85.23 -2.83 58.48 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.658 -0.247 . . . . 1.28 111.285 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 54.82 64.28 1.86 Allowed 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.734 -0.666 . . . . 1.8400000000000001 110.349 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -68.11 126.58 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.641 0.734 . . . . 1.28 112.396 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 mt -129.65 125.29 22.25 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.949 -1.023 . . . . 1.3899999999999999 108.25 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -54.74 95.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.667 2.245 . . . . 1.3799999999999999 110.954 179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -78.48 142.33 37.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.637 -1.165 . . . . 2.0800000000000001 111.556 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -83.03 -163.17 0.69 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.796 -1.187 . . . . 3.4399999999999999 107.796 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . 0.41 ' CA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m 55.61 48.4 18.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.011 1.386 . . . . 1.8999999999999999 108.564 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 172.7 -13.1 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.046 -1.888 . . . . 1.21 109.402 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.87 -51.59 5.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.629 -0.714 . . . . 1.74 109.083 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -66.58 -37.29 84.61 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.062 -1.088 . . . . 3.2799999999999998 108.062 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.738 HD23 HD22 ' A' ' 56' ' ' LEU . 17.2 tp -65.35 -37.14 86.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.651 -1.159 . . . . 1.6699999999999999 110.325 177.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.72 -29.91 67.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 2.1299999999999999 110.031 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.756 0 C-N-CA 120.724 -0.75 . . . . 2.1699999999999999 112.766 -179.996 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.428 -1.562 0 CA-C-O 121.323 0.582 . . . . 1.8400000000000001 110.29 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -139.47 -173.82 3.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.077 -0.965 . . . . 2.0899999999999999 109.7 -178.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.832 HD13 ' HB2' ' A' ' 17' ' ' TYR . 2.2 pp -53.28 -21.54 5.64 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.646 0.609 . . . . 1.21 112.646 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.591 ' HD1' HD12 ' A' ' 6' ' ' LEU . 2.7 m-30 -66.17 -29.93 70.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 1.8600000000000001 110.617 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -94.58 -45.78 7.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.251 0.548 . . . . 2.1200000000000001 111.226 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.77 -34.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.401 -0.818 . . . . 0.92000000000000004 111.85 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.85 74.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.531 -0.304 . . . . 1.02 111.234 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -65.25 -47.72 75.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.081 -0.509 . . . . 2.4500000000000002 111.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -61.49 -38.44 87.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 1.78 111.267 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.94 -17.79 42.34 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.396 0.887 . . . . 1.1100000000000001 113.396 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 31.38 58.94 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.922 -0.656 . . . . 1.1699999999999999 113.894 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -138.89 173.97 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.764 -0.458 . . . . 1.0800000000000001 109.764 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 p -73.28 170.68 14.52 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.051 -0.722 . . . . 1.9199999999999999 109.051 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.832 ' HB2' HD13 ' A' ' 6' ' ' LEU . 5.2 p90 -75.92 -13.06 60.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.344 -0.542 . . . . 0.96999999999999997 110.7 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.27 -33.29 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 2.23 109.964 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -34.24 77.66 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.89 -0.596 . . . . 1.21 110.299 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.25 -38.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.573 -0.899 . . . . 1.5900000000000001 108.573 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.1 m -63.12 -24.26 67.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.371 -0.831 . . . . 1.6000000000000001 110.421 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -71.63 -51.87 20.96 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.411 0.523 . . . . 4.2699999999999996 112.411 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -64.51 -27.31 42.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 112.829 0.677 . . . . 1.76 112.829 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 m -84.48 -29.5 7.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 O-C-N 121.781 -0.574 . . . . 1.8700000000000001 110.685 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.46 -69.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.652 -0.249 . . . . 1.6699999999999999 110.978 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -143.97 -12.11 0.65 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.761 0.652 . . . . 3.3399999999999999 112.761 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.68 54.64 6.15 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.96 0.409 . . . . 1.8999999999999999 110.946 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -82.8 0.32 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.39 0.614 . . . . 2.1400000000000001 112.59 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -92.79 67.29 4.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.665 -0.414 . . . . 3.8900000000000001 111.772 -177.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 32' ' ' ALA . 1.9 t -101.43 37.75 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.464 -0.334 . . . . 1.55 111.27 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m 70.08 -25.89 0.16 Allowed 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.82 0.7 . . . . 1.78 112.081 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 77.7 -6.32 2.0 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.992 0.917 . . . . 1.53 110.688 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.27 7.36 4.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.287 0.565 . . . . 4.2000000000000002 110.065 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.74 27.11 4.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.661 0.743 . . . . 1.48 109.584 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -93.54 -40.52 10.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.582 -0.735 . . . . 3.46 109.899 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -25.58 62.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.908 -0.775 . . . . 2.6400000000000001 108.908 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -54.42 45.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.302 -1.317 . . . . 3.54 111.874 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -76.35 -28.16 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.636 -0.711 . . . . 1.8400000000000001 112.163 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 42' ' ' MET . 25.3 mt-10 -68.12 -43.45 78.35 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.944 -0.473 . . . . 1.8400000000000001 111.152 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.39 95.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 1.25 110.266 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.99 3.51 12.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.147 0.499 . . . . 1.0900000000000001 111.601 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.48 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 15.3 ttp -88.49 -59.27 2.28 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.885 -1.154 . . . . 1.4399999999999999 107.885 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.12 62.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.037 -0.529 . . . . 1.3899999999999999 111.857 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.7 -48.73 73.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.601 0.963 . . . . 2.0800000000000001 113.601 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.94 -7.34 49.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.568 0.167 . . . . 1.1899999999999999 111.278 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 76.94 54.28 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 123.41 1.576 . . . . 2.04 109.586 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 5.4 t80 -74.24 122.48 22.9 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.996 -1.456 . . . . 1.77 110.816 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.8 mm -114.32 102.65 54.97 Favored Pre-proline 0 N--CA 1.468 0.452 0 C-N-CA 123.914 0.886 . . . . 2.0299999999999998 110.812 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.87 34.38 0.32 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.258 2.639 . . . . 0.92000000000000004 113.466 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 63.8 m-80 49.56 -168.72 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.308 0.855 . . . . 1.55 113.308 178.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 51' ' ' ARG . 5.5 tpp180 -94.89 -66.93 0.88 Allowed 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 121.676 -0.64 . . . . 3.5299999999999998 110.911 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.14 42.96 2.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.737 0.78 . . . . 1.6499999999999999 112.169 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -19.17 64.73 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.541 -1.209 . . . . 0.96999999999999997 111.45 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -81.59 -7.28 59.57 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.584 -0.735 . . . . 1.6699999999999999 111.754 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -93.05 33.8 1.15 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.592 -0.443 . . . . 2.1200000000000001 111.013 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.578 HD22 HD23 ' B' ' 56' ' ' LEU . 9.3 tp -129.73 3.6 4.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.805 0.812 . . . . 1.4399999999999999 110.419 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.45 2.98 6.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.046 -0.979 . . . . 1.8600000000000001 109.512 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.5 -0.88 0 C-N-CA 120.193 -1.003 . . . . 2.7599999999999998 110.695 179.747 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p . . . . . 0 N--CA 1.439 -0.984 0 N-CA-C 108.823 -0.806 . . . . 1.95 108.823 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.9 p -68.65 164.13 22.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.535 0.939 . . . . 1.74 113.535 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.61 -17.46 61.68 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.423 -0.808 . . . . 1.27 109.796 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.03 -41.33 70.96 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.225 0.536 . . . . 1.1499999999999999 109.931 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.46 -60.29 3.76 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 115.321 -0.854 . . . . 1.8100000000000001 110.362 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.449 HG11 ' HB2' ' B' ' 47' ' ' TYR . 12.5 m -56.05 -26.16 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 116.051 -0.522 . . . . 1.6000000000000001 111.152 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ALA . . . . . 0.418 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -74.79 -41.2 60.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.632 0.729 . . . . 1.22 110.499 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.63 -50.17 65.99 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.417 -0.811 . . . . 2.73 111.661 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' B' ' 44' ' ' GLU . 36.0 t80 -62.98 -27.19 69.24 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.927 -0.579 . . . . 1.71 110.665 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ALA . . . . . 0.538 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -78.77 -14.59 59.19 Favored 'General case' 0 C--O 1.244 0.776 0 O-C-N 121.064 -1.022 . . . . 1.21 113.459 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.21 31.85 63.42 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.365 -0.922 . . . . 1.53 111.028 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' B' ' 13' ' ' ALA . 27.7 m -131.77 -169.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.02 -0.363 . . . . 1.79 110.02 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -108.84 169.97 8.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.332 0.587 . . . . 2.1600000000000001 112.231 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -78.75 65.14 3.91 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.069 0.938 . . . . 2.1899999999999999 109.399 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLN . . . . . 0.521 ' O ' ' HD2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -167.14 -38.45 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 113.808 -1.542 . . . . 3.1699999999999999 109.376 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -30.15 62.42 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.438 -0.801 . . . . 1.4099999999999999 110.676 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' VAL . . . . . 0.441 ' HA ' HG11 ' B' ' 38' ' ' VAL . 18.1 t -61.9 -61.81 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 113.9 -1.5 . . . . 1.6200000000000001 111.265 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -61.47 -50.73 71.6 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.104 -0.638 . . . . 1.8600000000000001 111.474 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -49.84 -46.5 51.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.899 0.703 . . . . 5.2400000000000002 112.899 -177.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -11.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 114.561 1.319 . . . . 1.77 114.561 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.82 -62.63 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 120.842 0.354 . . . . 1.97 110.26 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.5 29.24 0.01 OUTLIER 'General case' 0 C--N 1.342 0.278 0 N-CA-C 108.834 -0.802 . . . . 3.75 108.834 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -122.04 18.08 10.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.219 -0.9 . . . . 4.8200000000000003 111.29 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.38 171.57 20.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.881 0.372 . . . . 2.5600000000000001 111.622 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -136.0 -56.97 0.77 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.132 -0.485 . . . . 3.7799999999999998 111.827 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 69.62 10.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.081 0.4 . . . . 2.6899999999999999 112.081 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 30.7 t -113.03 137.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 1.52 108.251 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -49.59 119.13 3.2 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.557 0.536 . . . . 1.8500000000000001 111.178 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.51 -23.07 64.25 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.554 0.342 . . . . 1.48 111.495 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -68.45 -43.1 77.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 3.6800000000000002 111.133 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' THR . . . . . 0.5 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -86.27 -19.8 29.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.368 -0.378 . . . . 1.8100000000000001 110.582 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -55.1 -51.46 66.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.943 -0.571 . . . . 3.48 110.527 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -23.11 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.93 -0.577 . . . . 1.96 111.546 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -70.64 -46.44 63.29 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.916 -0.49 . . . . 2.8199999999999998 110.955 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 34' ' ' THR . 14.5 t -63.79 -44.68 98.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 1.4299999999999999 111.192 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -45.35 93.3 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 109.967 -0.383 . . . . 2.27 109.967 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -53.0 -39.89 63.43 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.42 -0.809 . . . . 1.26 111.039 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.69 -46.16 26.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.165 0.431 . . . . 0.80000000000000004 112.165 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.3 mtm -57.21 -38.41 73.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 1.52 111.004 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -30.66 32.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.786 0.327 . . . . 1.0600000000000001 111.282 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 2.7 tp10 -56.27 -55.34 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 2.1899999999999999 111.446 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.46 -7.5 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.009 -0.367 . . . . 1.28 110.009 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 62.08 80.72 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.831 -0.622 . . . . 1.8400000000000001 110.899 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' TYR . . . . . 0.449 ' HB2' HG11 ' B' ' 9' ' ' VAL . 12.5 t80 -66.31 117.36 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 1.28 111.71 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -120.34 126.93 26.57 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.048 -1.093 . . . . 1.3899999999999999 108.048 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -40.62 110.18 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.553 2.836 . . . . 1.3799999999999999 113.198 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -64.91 139.65 58.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 2.0800000000000001 111.559 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -87.64 170.78 10.98 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.761 -0.654 . . . . 3.4399999999999999 109.873 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 33.8 m 60.92 37.93 17.97 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 124.061 0.851 . . . . 1.8999999999999999 109.962 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.38 -23.54 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 114.217 -1.356 . . . . 1.21 111.36 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -73.9 -32.36 63.54 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.233 -1.395 . . . . 1.74 107.233 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.72 -37.76 65.02 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.279 -1.328 . . . . 3.2799999999999998 109.915 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LEU . . . . . 0.578 HD23 HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -62.62 -60.01 4.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.141 -0.936 . . . . 1.6699999999999999 110.638 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.05 79.9 9.22 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.723 -0.671 . . . . 2.1299999999999999 111.822 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.711 0 C-N-CA 120.841 -0.695 . . . . 2.1699999999999999 113.091 179.002 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.505 ' SD ' ' HA ' ' B' ' 61' ' ' SER . 22.3 ptm . . . . . 0 N--CA 1.487 1.408 0 N-CA-C 109.54 -0.541 . . . . 5.7999999999999998 109.54 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 15.9 mtmt -69.65 117.58 54.52 Favored Pre-proline 0 C--O 1.237 0.395 0 CA-C-O 120.409 0.147 . . . . 5.2400000000000002 110.617 -179.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 1.1 Cg_endo -81.17 59.4 7.39 Favored 'Trans proline' 0 N--CA 1.454 -0.819 0 C-N-CA 121.98 1.787 . . . . 3.9199999999999999 111.839 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.498 HG23 ' HB2' ' A' ' 8' ' ' ASP . 2.4 p -90.63 98.51 8.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.728 0.775 . . . . 1.8400000000000001 110.197 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.815 HG21 H5'' ' D' ' 12' ' ' ' DG' . 49.0 p -110.42 -168.43 1.31 Allowed 'General case' 0 N--CA 1.439 -1.008 0 CA-C-N 115.653 -0.703 . . . . 2.0899999999999999 109.986 179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.484 HD22 ' OP2' ' D' ' 13' ' ' ' DC' . 2.4 pt? -54.1 -16.32 1.94 Allowed 'General case' 0 CA--C 1.546 0.82 0 O-C-N 123.68 0.613 . . . . 1.21 112.356 178.082 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -79.98 -37.54 34.08 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 118.344 0.52 . . . . 1.8600000000000001 111.088 -179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.498 ' HB2' HG23 ' A' ' 4' ' ' VAL . 5.4 m-20 -76.97 -36.35 56.55 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.208 0.527 . . . . 2.1200000000000001 111.614 -177.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 12.0 t -69.74 -20.89 23.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.933 -0.576 . . . . 0.92000000000000004 110.73 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' A' ' 15' ' ' VAL . . . -62.33 -60.81 3.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.887 -0.597 . . . . 1.02 110.879 179.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -61.07 -37.14 81.62 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.973 0.416 . . . . 2.4500000000000002 111.194 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 70.0 t80 -58.34 -31.29 67.43 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.399 -0.364 . . . . 1.78 111.59 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.47 -12.46 18.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.531 0.205 . . . . 1.1100000000000001 111.215 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.2 29.01 32.02 Favored Glycine 0 C--O 1.229 -0.174 0 C-N-CA 120.498 -0.858 . . . . 1.1699999999999999 113.05 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.436 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 2.8 m -138.01 -168.32 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.756 0 N-CA-C 109.411 -0.588 . . . . 1.0800000000000001 109.411 -179.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 91.3 p -94.46 -167.88 1.74 Allowed 'General case' 0 C--N 1.316 -0.889 0 N-CA-C 109.65 -0.5 . . . . 1.9199999999999999 109.65 178.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.471 ' HB2' ' HG ' ' A' ' 6' ' ' LEU . 14.9 p90 -90.56 4.82 50.16 Favored 'General case' 0 N--CA 1.45 -0.436 0 C-N-CA 120.586 -0.446 . . . . 0.96999999999999997 111.474 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -91.63 -36.19 13.79 Favored 'General case' 0 N--CA 1.452 -0.335 0 C-N-CA 120.69 -0.404 . . . . 2.23 110.152 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -67.17 -32.74 74.04 Favored 'General case' 0 CA--C 1.51 -0.568 0 N-CA-C 109.572 -0.529 . . . . 1.21 109.572 179.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 58.8 t -67.08 -50.96 59.05 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.672 0 CA-C-N 115.626 -0.716 . . . . 1.5900000000000001 109.708 179.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.3 m -72.47 -16.19 61.81 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.236 -0.438 . . . . 1.6000000000000001 112.13 -179.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.38 -38.74 59.66 Favored 'General case' 0 C--O 1.225 -0.211 0 CA-C-N 115.994 -0.548 . . . . 4.2699999999999996 111.875 -178.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.474 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 11.9 m -89.14 -11.8 10.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 112.726 0.639 . . . . 1.76 112.726 -179.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.0 t -81.73 -28.07 9.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 116.555 -0.293 . . . . 1.8700000000000001 111.146 -178.638 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.8 m-20 -96.56 -53.67 3.5 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 112.684 0.624 . . . . 1.6699999999999999 112.684 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 20.2 mm-40 -134.02 -33.5 1.03 Allowed 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.577 0.584 . . . . 3.3399999999999999 112.577 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.474 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 69.87 47.19 0.62 Allowed 'General case' 0 N--CA 1.476 0.835 0 O-C-N 123.45 0.469 . . . . 1.8999999999999999 111.645 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -72.82 -134.97 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 122.891 0.476 . . . . 2.1400000000000001 111.117 179.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 -77.42 83.83 3.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.173 0.511 . . . . 3.8900000000000001 110.07 178.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.422 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.8 t -86.43 67.89 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.846 -0.615 . . . . 1.55 109.987 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.0 m 67.31 -7.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.643 -0.708 . . . . 1.78 112.667 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.422 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 75.12 -27.96 0.19 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 124.174 0.989 . . . . 1.53 112.601 178.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 24.2 tptp -116.29 -3.67 11.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.971 0.415 . . . . 4.2000000000000002 111.773 -178.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.438 ' HA ' ' HB2' ' A' ' 37' ' ' LYS . 0.2 OUTLIER -125.62 29.95 5.86 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 116.208 -0.451 . . . . 1.48 110.09 -179.868 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.401 ' HA ' ' HB ' ' A' ' 30' ' ' VAL . 23.0 ttm105 -82.51 -48.79 10.62 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 122.357 1.075 . . . . 3.46 109.418 -178.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.85 -22.22 34.13 Favored 'General case' 0 C--N 1.312 -1.029 0 CA-C-N 114.165 -1.379 . . . . 2.6400000000000001 109.257 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.469 ' HA ' ' HE3' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -62.85 -49.29 75.46 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.504 -0.771 . . . . 3.54 111.37 179.879 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -65.64 -38.58 82.67 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.43 0 CA-C-N 117.747 0.249 . . . . 1.8400000000000001 111.264 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 51.3 mt-10 -60.7 -42.9 98.12 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-O 121.826 0.822 . . . . 1.8400000000000001 110.352 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.21 -44.81 82.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 114.844 -1.071 . . . . 1.25 110.097 179.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.8 -35.9 73.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.622 -0.717 . . . . 1.0900000000000001 110.227 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 29.8 ttp -63.9 -49.01 74.37 Favored 'General case' 0 CA--C 1.515 -0.395 0 CA-C-N 115.482 -0.781 . . . . 1.4399999999999999 110.048 -179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.4 -36.78 81.96 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 116.05 -0.523 . . . . 1.3899999999999999 110.707 179.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -66.21 -48.54 70.25 Favored 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 116.204 -0.453 . . . . 2.0800000000000001 111.783 -178.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 21.8 mt -82.18 -0.65 46.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.948 0.404 . . . . 1.1899999999999999 110.248 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.3 t30 61.03 30.35 19.5 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.749 -0.659 . . . . 2.04 109.457 -179.592 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -65.03 126.44 28.06 Favored 'General case' 0 CA--C 1.522 -0.116 0 CA-C-N 115.109 -0.95 . . . . 1.77 111.244 -178.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.0 tp -109.54 108.33 59.76 Favored Pre-proline 0 C--N 1.311 -1.073 0 C-N-CA 120.649 -0.42 . . . . 2.0299999999999998 111.504 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_exo -67.99 50.64 0.48 Allowed 'Trans proline' 0 C--N 1.351 0.692 0 C-N-CA 123.308 2.672 . . . . 0.92000000000000004 113.156 178.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.489 ' HB2' ' OP1' ' D' ' 13' ' ' ' DC' . 1.4 t-20 54.76 -160.15 0.17 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.15 0.906 . . . . 1.55 113.102 178.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.6 tpt85 -145.13 -40.16 0.24 Allowed 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.175 -0.921 . . . . 3.5299999999999998 110.374 179.675 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 7.1 t -125.22 -7.53 7.07 Favored 'General case' 0 CA--C 1.53 0.209 0 N-CA-C 113.344 0.868 . . . . 1.6499999999999999 113.344 -178.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.82 -43.57 98.46 Favored 'General case' 0 N--CA 1.469 0.51 0 N-CA-C 112.486 0.55 . . . . 0.96999999999999997 112.486 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.44 HE21 ' HB3' ' A' ' 54' ' ' GLN . 0.0 OUTLIER -62.36 -19.75 63.69 Favored 'General case' 0 CA--C 1.51 -0.596 0 C-N-CA 123.19 0.596 . . . . 1.6699999999999999 110.898 -178.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -72.78 -64.16 1.02 Allowed 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.592 -0.892 . . . . 2.1200000000000001 108.592 178.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.434 HD11 " O5'" ' C' ' 11' ' ' ' DG' . 8.4 tp -62.13 -5.51 2.33 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 112.18 0.437 . . . . 1.4399999999999999 112.18 175.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -100.3 129.14 46.26 Favored 'General case' 0 C--N 1.318 -0.768 0 O-C-N 120.851 -1.156 . . . . 1.8600000000000001 109.595 -179.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 59.92 38.04 93.52 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 121.178 -0.534 . . . . 2.7599999999999998 113.166 -178.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 35.1 mtpt -48.79 -59.75 3.3 Favored 'General case' 0 C--N 1.327 -0.389 0 O-C-N 124.361 0.683 . . . . 7.1600000000000001 111.383 -179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 51.86 30.18 6.82 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.075 -0.966 . . . . 6.4100000000000001 110.549 -178.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -101.04 8.04 43.13 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 115.904 -0.589 . . . . 6.96 110.405 -179.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 19.7 tp . . . . . 0 CA--C 1.515 -0.385 0 CA-C-N 115.468 -0.787 . . . . 8.8000000000000007 109.857 179.455 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 38.3 ttm . . . . . 0 N--CA 1.455 -0.184 0 CA-C-O 121.034 0.445 . . . . 7.5099999999999998 110.649 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 54.9 mttm -134.17 126.49 18.54 Favored Pre-proline 0 C--N 1.319 -0.74 0 CA-C-N 116.034 -0.53 . . . . 7.8300000000000001 110.525 -178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -81.43 -171.47 1.23 Allowed 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.819 2.346 . . . . 3.0499999999999998 111.534 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 6.0 p -82.52 154.78 3.94 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 116.57 -0.287 . . . . 1.95 110.887 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -143.33 146.1 33.26 Favored 'General case' 0 N--CA 1.451 -0.422 0 N-CA-C 108.629 -0.878 . . . . 1.74 108.629 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.484 ' HG ' ' CE1' ' B' ' 47' ' ' TYR . 0.5 OUTLIER -62.2 -33.47 74.62 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 120.7 0.286 . . . . 1.27 110.789 -178.376 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 86.9 m-85 -59.39 -33.47 71.25 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 115.769 -0.651 . . . . 1.1499999999999999 110.846 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -68.32 -45.84 71.86 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.383 -0.372 . . . . 1.8100000000000001 110.253 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 11.4 t -63.64 -35.47 72.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 CA-C-N 115.897 -0.592 . . . . 1.6000000000000001 110.208 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.15 -48.81 74.58 Favored 'General case' 0 CA--C 1.516 -0.33 0 CA-C-N 115.692 -0.686 . . . . 1.22 109.861 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 23.8 tt0 -69.9 -38.61 76.34 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.859 -0.609 . . . . 2.73 112.381 -178.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -62.88 -40.75 98.47 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.399 -0.593 . . . . 1.71 109.399 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.92 -19.15 60.26 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.85 -0.614 . . . . 1.21 111.064 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 67.62 30.75 75.1 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 121.447 -0.406 . . . . 1.53 113.125 179.748 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -115.18 -173.23 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 117.081 0.441 . . . . 1.79 111.284 -178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.459 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.1 OUTLIER -80.98 20.52 0.78 Allowed 'General case' 0 N--CA 1.449 -0.482 0 N-CA-C 114.028 1.121 . . . . 2.1600000000000001 114.028 -177.455 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.459 ' HB3' ' O ' ' B' ' 16' ' ' SER . 4.6 t80 70.97 -56.23 0.63 Allowed 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 118.104 0.411 . . . . 2.1899999999999999 111.911 179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 2.7 pt20 -50.95 -43.06 60.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.926 0.393 . . . . 3.1699999999999999 111.538 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.65 -25.58 68.28 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 114.02 1.118 . . . . 1.4099999999999999 114.02 -178.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 55.6 t -71.0 -66.63 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 112.555 0.576 . . . . 1.6200000000000001 112.555 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.65 -21.24 66.11 Favored 'General case' 0 C--N 1.319 -0.726 0 N-CA-C 112.841 0.682 . . . . 1.8600000000000001 112.841 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.496 ' HA ' ' HD3' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -69.79 -26.86 64.47 Favored 'General case' 0 C--O 1.22 -0.471 0 CA-C-N 118.177 0.444 . . . . 5.2400000000000002 110.423 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.711 ' HA ' ' HB2' ' B' ' 27' ' ' ALA . 55.1 t -63.56 -39.74 86.47 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.76 0.314 . . . . 1.77 110.9 178.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -94.36 -0.56 10.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.749 0.785 . . . . 1.97 110.999 179.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.467 ' HB3' ' HA ' ' B' ' 22' ' ' ARG . 20.3 t-20 -103.55 -63.89 1.14 Allowed 'General case' 0 C--N 1.314 -0.959 0 CA-C-N 115.544 -0.753 . . . . 3.75 111.445 -178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -167.4 54.53 0.07 Allowed 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.82 0.343 . . . . 4.8200000000000003 111.561 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.711 ' HB2' ' HA ' ' B' ' 23' ' ' VAL . . . -63.5 134.3 55.35 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.428 0.632 . . . . 2.5600000000000001 111.874 179.415 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 3.1 p -124.44 -85.33 0.64 Allowed 'General case' 0 C--N 1.314 -0.946 0 CA-C-N 114.768 -1.105 . . . . 3.7799999999999998 110.372 179.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 15.8 m-70 -95.28 65.98 2.84 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.028 -0.533 . . . . 2.6899999999999999 112.241 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 5.0 t -108.85 128.59 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 N-CA-C 108.574 -0.899 . . . . 1.52 108.574 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.51 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 71.0 m -63.99 145.83 55.17 Favored 'General case' 0 C--O 1.239 0.508 0 CA-C-O 121.384 0.612 . . . . 1.8500000000000001 110.932 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.461 ' HA ' ' HG2' ' B' ' 35' ' ' ARG . . . -57.32 -33.99 68.28 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.888 -1.051 . . . . 1.48 110.29 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 35.1 mttt -66.45 -38.33 87.13 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.673 -0.694 . . . . 3.6800000000000002 111.142 179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.51 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -73.27 -44.9 58.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.836 -0.62 . . . . 1.8100000000000001 111.69 -179.635 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.617 ' HA ' HG22 ' B' ' 38' ' ' VAL . 13.7 ptm180 -69.44 -28.74 66.38 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-O 121.334 0.588 . . . . 3.48 112.091 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 tt0 -55.9 -50.48 70.54 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.652 -0.704 . . . . 1.96 110.623 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -68.4 -48.34 64.92 Favored 'General case' 0 C--O 1.221 -0.398 0 CA-C-N 115.483 -0.78 . . . . 2.8199999999999998 112.385 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' B' ' 35' ' ' ARG . 9.1 m -61.06 -33.53 56.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.918 0 N-CA-C 112.31 0.485 . . . . 1.4299999999999999 112.31 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 40.4 mt-10 -65.37 -43.49 90.61 Favored 'General case' 0 N--CA 1.449 -0.48 0 N-CA-C 108.558 -0.905 . . . . 2.27 108.558 178.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.583 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -58.89 -39.73 82.3 Favored 'General case' 0 C--O 1.225 -0.214 0 CA-C-N 115.394 -0.821 . . . . 1.26 110.785 179.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.22 -41.61 66.68 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 112.37 0.508 . . . . 0.80000000000000004 112.37 -179.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 64.5 mtm -64.51 -41.43 96.42 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.514 -0.312 . . . . 1.52 110.833 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -75.47 -29.88 59.74 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.075 -0.511 . . . . 1.0600000000000001 111.543 179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.583 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 13.3 tp10 -70.06 -46.95 63.89 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.952 0.406 . . . . 2.1899999999999999 111.928 -179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 18.3 mt -92.08 -8.4 45.95 Favored 'General case' 0 C--N 1.322 -0.607 0 C-N-CA 120.319 -0.552 . . . . 1.28 112.398 -178.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 27.9 t-20 65.16 86.14 0.13 Allowed 'General case' 0 N--CA 1.463 0.192 0 N-CA-C 109.406 -0.591 . . . . 1.8400000000000001 109.406 -178.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.484 ' CE1' ' HG ' ' B' ' 6' ' ' LEU . 40.9 t80 -90.02 110.96 21.91 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.92 -0.582 . . . . 1.28 111.063 -178.097 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 36.4 mt -114.2 120.12 39.07 Favored Pre-proline 0 C--N 1.33 -0.258 0 N-CA-C 109.685 -0.487 . . . . 1.3899999999999999 109.685 178.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -61.64 103.65 0.28 Allowed 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 121.231 1.287 . . . . 1.3799999999999999 111.524 179.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.9 p-10 -79.88 147.14 31.82 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.848 -0.614 . . . . 2.0800000000000001 111.71 -178.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 4.5 mpt_? -98.16 88.68 4.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.6 0.714 . . . . 3.4399999999999999 110.75 179.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.421 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 99.4 m -158.43 -69.84 0.09 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.66 -1.154 . . . . 1.8999999999999999 109.509 -178.467 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.29 7.57 13.56 Favored 'General case' 0 C--O 1.216 -0.709 0 N-CA-C 109.094 -0.706 . . . . 1.21 109.094 179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -87.88 -50.33 6.51 Favored 'General case' 0 N--CA 1.45 -0.471 0 O-C-N 121.623 -0.673 . . . . 1.74 110.072 179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -66.15 -43.09 88.0 Favored 'General case' 0 C--O 1.232 0.175 0 CA-C-O 121.729 0.776 . . . . 3.2799999999999998 109.693 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.648 HD21 ' N2 ' ' D' ' 12' ' ' ' DG' . 30.0 tp -65.3 -37.75 88.09 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 114.146 -1.388 . . . . 1.6699999999999999 112.551 -179.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -62.45 -19.38 63.46 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.037 0.211 . . . . 2.1299999999999999 111.196 -177.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 110.39 57.51 0.5 Allowed Glycine 0 N--CA 1.447 -0.612 0 N-CA-C 111.446 -0.661 . . . . 2.1699999999999999 111.446 179.362 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 33.8 mtpt -84.45 -173.83 4.94 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.539 -0.541 . . . . 6.1399999999999997 109.539 178.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 26.2 mp0 -76.33 -0.01 21.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.617 0.722 . . . . 6.6900000000000004 110.583 179.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.505 ' HA ' ' SD ' ' A' ' 1' ' ' MET . 9.0 m -149.94 137.71 20.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.423 -0.808 . . . . 6.6100000000000003 109.309 179.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--N 1.32 -0.687 0 CA-C-O 118.55 -0.738 . . . . 8.7799999999999994 110.111 179.628 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' -1' ' ' ' DC' . . . . . 0.973 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.084 0 C3'-C2'-C1' 99.494 -2.29 . . . . 5.3099999999999996 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.406 ' C8 ' H2'' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.058 0 C3'-C2'-C1' 99.655 -2.175 . . . . 4.6799999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.819 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.948 0 O4'-C1'-C2' 103.946 -1.958 . . . . 3.3599999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.819 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.65 0 C3'-C2'-C1' 99.206 -2.496 . . . . 2.1800000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.683 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 P--O3' 1.616 0.749 0 C3'-C2'-C1' 99.344 -2.397 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.55 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 O4'-C1'-C2' 104.183 -1.743 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.55 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.694 0 C3'-C2'-C1' 99.509 -2.279 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.482 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.052 0 C3'-C2'-C1' 99.653 -2.176 . . . . 1.3200000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.482 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.992 0 C3'-C2'-C1' 99.544 -2.254 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.493 H2'' ' C6 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.454 0.682 0 O4'-C1'-C2' 103.719 -2.165 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.493 ' C6 ' H2'' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.862 0 O4'-C1'-C2' 103.955 -1.95 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.497 H2'' ' C5 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.626 1.581 0 C5'-C4'-C3' 117.862 2.108 . . . . 1.0800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.497 ' C5 ' H2'' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.554 0 O4'-C1'-C2' 103.894 -2.005 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.458 " C2'" HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 C2'--C1' 1.502 -1.342 0 C3'-C2'-C1' 99.336 -2.403 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.78 0 C3'-C2'-C1' 100.184 -1.797 . . . . 1.3100000000000001 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.673 0 O4'-C1'-C2' 103.891 -2.008 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.616 0.777 0 C3'-C2'-C1' 99.535 -2.26 . . . . 2.5499999999999998 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.938 0 C3'-C2'-C1' 99.434 -2.333 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.6 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.013 0 C3'-C2'-C1' 99.225 -2.482 . . . . 2.4500000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.6 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.888 0 C3'-C2'-C1' 99.763 -2.098 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.498 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.003 0 C3'-C2'-C1' 99.598 -2.216 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.488 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.068 0 C3'-C2'-C1' 99.316 -2.417 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.488 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.512 -0.611 0 O4'-C1'-C2' 103.636 -2.24 . . . . 3.4500000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' -1' ' ' ' DG' . . . . . 0.545 H2'' ' C8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.431 -0.575 0 C4'-C3'-C2' 104.362 1.162 . . . . 4.1699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.545 ' C8 ' H2'' ' D' ' -1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 C3'-C2'-C1' 100.265 -1.739 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.507 ' C8 ' " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.769 0 O4'-C1'-C2' 105.151 -0.863 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.798 0 C3'-C2'-C1' 99.878 -2.016 . . . . 2.3999999999999999 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.516 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 107.529 -1.55 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.516 " O5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.698 0 O4'-C1'-N19 108.591 0.989 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ' DC' . . . . . 0.501 ' C5 ' H2'' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C3'-C2'-C1' 100.933 -1.262 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . 0.43 H2'' ' OP2' ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -1.022 0 C1'-O4'-C4' 107.908 -1.28 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.673 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 104.281 1.13 . . . . 2.2799999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.673 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 O4'-C1'-C2' 104.921 -1.072 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . 0.561 H2'' ' C5 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.921 0 C3'-C2'-C1' 101.013 -1.205 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.616 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.707 0 C3'-C2'-C1' 104.74 1.457 . . . . 2.1600000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.815 H5'' HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.429 -0.672 0 O4'-C4'-C3' 104.339 -1.261 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.489 ' OP1' ' HB2' ' A' ' 50' ' ' ASN . . . . . . . . 0 O5'--C5' 1.427 -0.792 0 C1'-O4'-C4' 106.315 -2.418 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.736 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.861 0 O4'-C4'-C3' 104.109 -1.491 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.736 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 C3'-C2'-C1' 105.254 1.824 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.51 ' C8 ' " C2'" ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.764 0 C3'-C2'-C1' 105.745 2.175 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.521 H2'' ' C6 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 C4'-C3'-C2' 102.03 -1.17 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' ' DT' . . . . . 0.536 H2'' ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.438 -0.728 0 C3'-C2'-C1' 105.482 1.987 . . . . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.59 H2'' ' C5 ' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.66 0 C1'-O4'-C4' 110.432 0.523 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ' DC' . . . . . 0.59 ' C5 ' H2'' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C1'-O4'-C4' 111.152 1.037 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ' DC' . . . . . 0.421 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.837 0 N19-C1'-C2' 115.464 0.79 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' ' DG' . . . . . 0.973 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.41 -0.781 0 C4'-C3'-C2' 104.739 1.539 . . . . 3.9500000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.9 tpt . . . . . 0 N--CA 1.481 1.086 0 N-CA-C 110.123 -0.325 . . . . 5.7999999999999998 110.123 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.449 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 60.6 mmtt -56.44 130.69 76.26 Favored Pre-proline 0 N--CA 1.451 -0.41 0 O-C-N 123.598 0.561 . . . . 5.2400000000000002 110.614 179.459 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.48 ' HA ' HD22 ' A' ' 46' ' ' ASN . 39.5 Cg_exo -62.97 88.92 0.12 Allowed 'Trans proline' 0 N--CA 1.463 -0.287 0 C-N-CA 122.775 2.317 . . . . 3.9199999999999999 111.062 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.423 ' HB ' ' HB3' ' A' ' 8' ' ' ASP . 17.9 m -81.54 150.97 4.38 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.459 0 CA-C-N 115.304 -0.862 . . . . 1.8400000000000001 111.264 -179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.628 HG21 " H3'" ' D' ' 12' ' ' ' DG' . 1.2 p -108.4 -170.72 1.72 Allowed 'General case' 0 N--CA 1.445 -0.707 0 CA-C-N 115.694 -0.685 . . . . 2.0899999999999999 112.051 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.604 HD23 ' HB3' ' A' ' 21' ' ' SER . 0.2 OUTLIER -53.94 -19.87 5.27 Favored 'General case' 0 C--O 1.22 -0.45 0 N-CA-C 113.046 0.758 . . . . 1.21 113.046 179.939 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 43.2 m-85 -77.26 -32.3 55.53 Favored 'General case' 0 CA--C 1.523 -0.067 0 CA-C-N 118.187 0.449 . . . . 1.8600000000000001 111.514 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.423 ' HB3' ' HB ' ' A' ' 4' ' ' VAL . 0.5 OUTLIER -86.53 -52.48 5.54 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 111.615 0.228 . . . . 2.1200000000000001 111.615 -178.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -56.11 -35.06 40.46 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.413 0 CA-C-N 116.153 -0.476 . . . . 0.92000000000000004 111.484 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.1 -46.38 89.79 Favored 'General case' 0 C--O 1.234 0.237 0 N-CA-C 112.173 0.434 . . . . 1.02 112.173 -179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -68.6 -33.46 74.09 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.118 0.485 . . . . 2.4500000000000002 110.922 -179.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.424 ' CD2' HD11 ' A' ' 45' ' ' LEU . 21.0 t80 -64.99 -33.82 76.97 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.809 -0.632 . . . . 1.78 110.977 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.57 -25.12 21.51 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 115.407 -0.815 . . . . 1.1100000000000001 110.697 179.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 92.92 26.61 16.11 Favored Glycine 0 N--CA 1.443 -0.887 0 C-N-CA 120.736 -0.745 . . . . 1.1699999999999999 113.585 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -127.56 -171.5 0.76 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.354 0 CA-C-O 120.442 0.163 . . . . 1.0800000000000001 110.708 179.133 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 53.7 p -86.12 170.46 12.18 Favored 'General case' 0 C--O 1.237 0.438 0 N-CA-C 109.763 -0.458 . . . . 1.9199999999999999 109.763 179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 8.0 p90 -74.72 -12.41 60.41 Favored 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 120.921 -0.312 . . . . 0.96999999999999997 110.739 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.495 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 8.5 tp60 -82.81 -34.52 26.92 Favored 'General case' 0 N--CA 1.448 -0.56 0 C-N-CA 120.529 -0.468 . . . . 2.23 109.817 179.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.91 -48.78 80.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 1.21 111.686 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.562 ' O ' HG22 ' A' ' 23' ' ' VAL . 3.9 p -66.68 -36.06 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.771 0 N-CA-C 112.545 0.572 . . . . 1.5900000000000001 112.545 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.604 ' HB3' HD23 ' A' ' 6' ' ' LEU . 86.8 p -82.14 -14.96 54.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 121.647 -0.658 . . . . 1.6000000000000001 110.792 -179.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.495 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 15.2 tpt180 -73.9 -27.38 61.02 Favored 'General case' 0 CA--C 1.514 -0.423 0 N-CA-C 112.197 0.443 . . . . 4.2699999999999996 112.197 -178.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 20' ' ' VAL . 27.1 m -65.37 -42.53 93.81 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 CA-C-O 121.569 0.7 . . . . 1.76 110.761 179.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 1.5 m -79.59 -15.5 13.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.826 -0.624 . . . . 1.8700000000000001 112.004 179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -85.09 -52.46 5.94 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 124.031 0.832 . . . . 1.6699999999999999 110.253 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 tm0? -160.22 -32.3 0.06 Allowed 'General case' 0 N--CA 1.467 0.421 0 O-C-N 121.792 -0.567 . . . . 3.3399999999999999 111.208 -179.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 65.54 36.63 6.47 Favored 'General case' 0 N--CA 1.466 0.359 0 C-N-CA 123.658 0.783 . . . . 1.8999999999999999 111.929 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -72.91 -42.83 63.11 Favored 'General case' 0 N--CA 1.445 -0.693 0 CA-C-N 115.766 -0.652 . . . . 2.1400000000000001 111.642 -179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -141.92 75.94 1.52 Allowed 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 120.536 0.207 . . . . 3.8900000000000001 111.436 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.487 HG21 HG12 ' A' ' 23' ' ' VAL . 3.1 t -102.65 35.74 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 N-CA-C 109.729 -0.471 . . . . 1.55 109.729 178.243 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.613 ' HA ' ' OP1' ' C' ' 4' ' ' ' DA' . 57.1 m 65.19 -23.67 0.09 Allowed 'General case' 0 N--CA 1.484 1.256 0 N-CA-C 113.684 0.994 . . . . 1.78 113.684 -179.309 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.72 -19.63 0.3 Allowed 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.629 0.772 . . . . 1.53 110.775 -179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.568 ' HG3' ' O ' ' A' ' 31' ' ' SER . 32.1 mttt -85.07 -36.17 21.36 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.677 0.791 . . . . 4.2000000000000002 112.524 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -109.49 3.45 21.31 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.157 0.504 . . . . 1.48 111.079 -179.554 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.94 -43.84 66.6 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.898 0.703 . . . . 3.46 112.898 179.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 -26.36 33.88 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-O 121.55 0.691 . . . . 2.6400000000000001 111.448 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.69 -47.89 79.35 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.586 -0.734 . . . . 3.54 111.189 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.413 ' HB ' HG23 ' A' ' 20' ' ' VAL . 35.4 m -71.81 -25.65 24.53 Favored 'Isoleucine or valine' 0 C--N 1.35 0.614 0 CA-C-N 117.978 0.354 . . . . 1.8400000000000001 110.881 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -75.31 -38.51 60.26 Favored 'General case' 0 CA--C 1.514 -0.411 0 CA-C-O 120.441 0.162 . . . . 1.8400000000000001 110.721 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' A' ' 44' ' ' GLU . . . -65.11 -38.37 90.46 Favored 'General case' 0 N--CA 1.448 -0.567 0 CA-C-N 116.517 -0.311 . . . . 1.25 110.833 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -88.45 19.04 4.05 Favored 'General case' 0 N--CA 1.449 -0.486 0 N-CA-C 112.179 0.437 . . . . 1.0900000000000001 112.179 -178.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 38.1 ttm -85.56 -60.3 2.07 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.302 0.572 . . . . 1.4399999999999999 110.356 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -18.31 44.76 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.513 -0.767 . . . . 1.3899999999999999 110.256 179.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' A' ' 40' ' ' ALA . 0.0 OUTLIER -74.24 -45.11 50.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.505 0.669 . . . . 2.0800000000000001 111.295 -179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.424 HD11 ' CD2' ' A' ' 12' ' ' TYR . 79.9 mt -91.0 -0.09 57.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.02 -0.536 . . . . 1.1899999999999999 111.038 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.48 HD22 ' HA ' ' A' ' 3' ' ' PRO . 11.0 t30 64.99 83.29 0.17 Allowed 'General case' 0 N--CA 1.471 0.612 0 O-C-N 123.842 0.714 . . . . 2.04 109.388 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 12.9 t80 -123.01 121.67 36.64 Favored 'General case' 0 CA--C 1.511 -0.548 0 CA-C-N 116.073 -0.512 . . . . 1.77 110.726 -177.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.454 ' C ' ' H ' ' A' ' 50' ' ' ASN . 32.4 mt -119.51 110.74 36.97 Favored Pre-proline 0 C--O 1.223 -0.298 0 O-C-N 123.711 0.632 . . . . 2.0299999999999998 109.358 178.007 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.71 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 36.2 Cg_exo -63.99 18.09 0.06 OUTLIER 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 123.883 3.055 . . . . 0.92000000000000004 114.668 -179.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.454 ' H ' ' C ' ' A' ' 48' ' ' ILE . 42.5 m-80 60.09 165.06 0.06 Allowed 'General case' 0 CA--C 1.502 -0.901 0 CA-C-O 122.093 0.949 . . . . 1.55 112.358 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.5 ptp85 -115.85 -15.33 11.28 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 114.594 -1.185 . . . . 3.5299999999999998 109.441 177.5 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.683 ' SG ' ' HB3' ' B' ' 51' ' ' ARG . 0.0 OUTLIER -136.8 110.75 8.23 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 113.52 -1.673 . . . . 1.6499999999999999 109.817 179.372 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.536 ' HA ' HD22 ' B' ' 56' ' ' LEU . . . 174.49 -44.76 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 CA-C-N 115.004 -0.998 . . . . 0.96999999999999997 110.664 -175.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -67.29 -29.35 68.91 Favored 'General case' 0 CA--C 1.537 0.444 0 O-C-N 123.791 0.682 . . . . 1.6699999999999999 110.885 -178.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -74.97 14.11 0.57 Allowed 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.618 -0.676 . . . . 2.1200000000000001 111.895 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.536 HD22 HD23 ' B' ' 56' ' ' LEU . 8.9 tp -110.25 -16.59 13.71 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.964 -0.562 . . . . 1.4399999999999999 110.16 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.58 ' HB2' ' H21' ' C' ' 9' ' ' ' DG' . . . -120.55 -11.38 9.09 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-O 121.8 0.809 . . . . 1.8600000000000001 111.711 -179.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -139.05 79.87 0.29 Allowed Glycine 0 CA--C 1.504 -0.612 0 N-CA-C 110.592 -1.003 . . . . 2.7599999999999998 110.592 -178.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 22.6 mttm -93.04 136.37 33.36 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.171 0.51 . . . . 7.1600000000000001 110.71 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -95.75 65.58 2.6 Favored 'General case' 0 C--N 1.313 -1.015 0 CA-C-N 115.149 -0.932 . . . . 6.4100000000000001 111.343 179.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.33 97.48 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.457 -0.338 . . . . 6.96 111.085 179.015 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.453 -0.339 . . . . 8.8000000000000007 110.399 179.746 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 8.2 ttt . . . . . 0 N--CA 1.463 0.208 0 N-CA-C 110.334 -0.247 . . . . 7.5099999999999998 110.334 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 41.7 mtpt -99.58 111.05 60.73 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 120.99 0.424 . . . . 7.8300000000000001 110.2 179.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 59.8 Cg_endo -75.21 -178.8 4.47 Favored 'Trans proline' 0 CA--C 1.528 0.202 0 C-N-CA 122.902 2.401 . . . . 3.0499999999999998 112.819 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 4.1 p -78.56 165.03 3.12 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.262 0 N-CA-C 109.218 -0.66 . . . . 1.95 109.218 179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.405 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 37.0 p -145.69 160.34 41.84 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 108.916 -0.772 . . . . 1.74 108.916 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 29.4 mt -66.97 -22.03 65.94 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-O 121.372 0.606 . . . . 1.27 110.934 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -72.51 -30.72 64.74 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.267 -0.878 . . . . 1.1499999999999999 109.729 179.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -73.97 -27.14 60.84 Favored 'General case' 0 C--O 1.238 0.48 0 CA-C-O 122.139 0.971 . . . . 1.8100000000000001 110.372 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 95.1 t -70.3 -41.36 78.59 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 CA-C-N 114.552 -1.203 . . . . 1.6000000000000001 110.482 -179.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.23 -27.13 65.19 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.677 0.751 . . . . 1.22 109.887 178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -72.81 -44.15 61.83 Favored 'General case' 0 N--CA 1.442 -0.874 0 CA-C-N 114.572 -1.195 . . . . 2.73 110.544 -179.061 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.7 t80 -67.84 -43.93 78.38 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.214 -0.448 . . . . 1.71 110.275 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -74.12 -21.33 59.93 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 113.87 1.063 . . . . 1.21 113.87 -177.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.5 39.73 55.85 Favored Glycine 0 C--O 1.222 -0.605 0 N-CA-C 110.393 -1.083 . . . . 1.53 110.393 -177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 26.9 m -128.72 -173.8 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.457 -0.371 . . . . 1.79 110.385 178.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.5 t -93.21 162.63 13.94 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.89 -0.595 . . . . 2.1600000000000001 110.236 179.179 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 87.1 t80 -59.69 -22.21 61.66 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 115.85 -0.614 . . . . 2.1899999999999999 110.732 178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.595 ' HG3' ' N ' ' B' ' 19' ' ' THR . 0.2 OUTLIER -80.51 -30.57 37.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.039 -0.528 . . . . 3.1699999999999999 110.446 -178.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.595 ' N ' ' HG3' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -70.23 -37.24 74.96 Favored 'General case' 0 C--N 1.303 -1.43 0 CA-C-N 115.111 -0.949 . . . . 1.4099999999999999 110.743 -177.516 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.42 ' O ' HG23 ' B' ' 24' ' ' VAL . 29.5 m -77.05 -28.0 16.54 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.451 0 O-C-N 123.996 0.81 . . . . 1.6200000000000001 111.494 -178.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -84.43 -48.64 9.44 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 121.719 0.771 . . . . 1.8600000000000001 110.688 -179.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.521 ' HA ' ' HB2' ' B' ' 26' ' ' GLN . 3.3 tpp180 -55.43 -39.31 70.1 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.616 -1.175 . . . . 5.2400000000000002 113.28 -179.274 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.0 p -69.93 -20.69 23.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 112.334 0.494 . . . . 1.77 112.334 -177.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.42 HG23 ' O ' ' B' ' 20' ' ' VAL . 54.7 t -67.52 -74.05 0.08 OUTLIER 'Isoleucine or valine' 0 C--O 1.237 0.423 0 CA-C-O 120.966 0.413 . . . . 1.97 110.424 -179.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -155.33 67.0 0.64 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.157 -0.474 . . . . 3.75 111.287 -179.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.521 ' HB2' ' HA ' ' B' ' 22' ' ' ARG . 65.4 mt-30 -139.39 -66.42 0.46 Allowed 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 116.311 -0.404 . . . . 4.8200000000000003 111.449 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.17 161.49 32.05 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.042 -0.526 . . . . 2.5600000000000001 112.054 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 8.4 t -115.83 -5.66 12.07 Favored 'General case' 0 N--CA 1.446 -0.632 0 CA-C-N 115.667 -0.697 . . . . 3.7799999999999998 111.126 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -81.34 41.49 0.62 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.033 0.444 . . . . 2.6899999999999999 110.622 178.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 54.5 t -107.89 136.74 42.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 CA-C-N 116.194 -0.457 . . . . 1.52 110.686 -179.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -52.29 125.52 16.2 Favored 'General case' 0 CA--C 1.542 0.647 0 O-C-N 123.788 0.68 . . . . 1.8500000000000001 112.296 -179.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.1 -40.76 96.92 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.088 -0.506 . . . . 1.48 111.404 -179.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -58.42 -38.7 77.96 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.34 0.59 . . . . 3.6800000000000002 111.667 -179.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -88.1 -21.23 24.8 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 112.806 0.669 . . . . 1.8100000000000001 112.806 -178.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.432 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -73.95 -30.77 62.71 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 112.639 0.607 . . . . 3.48 112.639 -178.584 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -64.31 -31.0 72.03 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.644 0.735 . . . . 1.96 111.65 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 23.7 mtpt -74.68 -27.84 60.58 Favored 'General case' 0 C--N 1.309 -1.189 0 CA-C-N 115.276 -0.875 . . . . 2.8199999999999998 111.56 -179.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.44 -40.67 56.27 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.485 0 N-CA-C 109.909 -0.404 . . . . 1.4299999999999999 109.909 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 23.6 mt-10 -63.11 -45.31 92.65 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 109.363 -0.606 . . . . 2.27 109.363 178.877 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.78 -38.81 79.35 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 114.999 -1.0 . . . . 1.26 111.311 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.34 -40.02 96.14 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 110.264 -0.273 . . . . 0.80000000000000004 110.264 179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 79.5 mtm -63.91 -36.67 84.69 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.692 -0.685 . . . . 1.52 111.044 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -82.95 -37.02 24.68 Favored 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.318 0.386 . . . . 1.0600000000000001 111.156 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 28.8 tp10 -66.09 -45.35 81.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.996 -0.547 . . . . 2.1899999999999999 110.334 -178.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 83.4 mt -81.38 -6.99 59.5 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.17 0.509 . . . . 1.28 110.028 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 57.84 50.19 10.9 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.754 -1.112 . . . . 1.8400000000000001 110.585 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 30.3 t80 -63.48 120.47 11.75 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-N 115.159 -0.928 . . . . 1.28 111.369 -179.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 40.6 mt -126.72 127.95 24.37 Favored Pre-proline 0 C--N 1.317 -0.806 0 N-CA-C 107.816 -1.179 . . . . 1.3899999999999999 107.816 177.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_exo -43.98 95.87 0.02 OUTLIER 'Trans proline' 0 C--N 1.355 0.874 0 C-N-CA 122.475 2.117 . . . . 1.3799999999999999 111.713 179.208 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -77.88 156.64 30.24 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.43 -0.804 . . . . 2.0800000000000001 111.479 -178.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.683 ' HB3' ' SG ' ' A' ' 52' ' ' CYS . 1.1 mpt_? -93.91 171.5 8.82 Favored 'General case' 0 N--CA 1.446 -0.658 0 N-CA-C 109.4 -0.593 . . . . 3.4399999999999999 109.4 178.341 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.502 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 69.8 m 62.56 46.14 5.75 Favored 'General case' 0 C--O 1.224 -0.24 0 CA-C-N 116.047 -0.524 . . . . 1.8999999999999999 109.799 179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 176.95 -25.7 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 114.682 -1.145 . . . . 1.21 109.731 -179.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 11.2 mt-30 -90.3 -42.16 11.13 Favored 'General case' 0 N--CA 1.426 -1.673 0 CA-C-N 114.89 -1.05 . . . . 1.74 108.776 -178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.427 HE22 ' HG3' ' B' ' 51' ' ' ARG . 22.4 mp0 -71.94 -47.79 49.88 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-O 121.903 0.859 . . . . 3.2799999999999998 110.206 -179.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.536 HD22 ' HA ' ' A' ' 53' ' ' ALA . 1.1 tp -57.65 -31.85 66.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.477 -1.238 . . . . 1.6699999999999999 111.705 179.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -93.77 -11.48 31.27 Favored 'General case' 0 N--CA 1.452 -0.339 0 O-C-N 122.163 -0.335 . . . . 2.1299999999999999 111.869 -177.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -99.78 -26.48 8.49 Favored Glycine 0 CA--C 1.503 -0.656 0 C-N-CA 120.602 -0.808 . . . . 2.1699999999999999 111.332 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.416 ' HE3' ' HB3' ' B' ' 59' ' ' LYS . 1.1 ttpp -91.74 55.04 2.6 Favored 'General case' 0 C--N 1.315 -0.934 0 CA-C-N 115.135 -0.533 . . . . 6.1399999999999997 111.552 -179.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -70.85 -12.28 61.45 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.718 -0.674 . . . . 6.6900000000000004 110.422 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -104.63 158.48 16.47 Favored 'General case' 0 N--CA 1.448 -0.563 0 N-CA-C 108.325 -0.991 . . . . 6.6100000000000003 108.325 178.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 67.0 mt . . . . . 0 C--O 1.256 1.417 0 CA-C-O 118.955 -0.545 . . . . 8.7799999999999994 110.843 -179.208 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' -1' ' ' ' DC' . . . . . 0.957 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.512 -0.62 0 C3'-C2'-C1' 99.218 -2.487 . . . . 5.3099999999999996 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.487 ' C8 ' H2'' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.012 0 C3'-C2'-C1' 99.469 -2.308 . . . . 4.6799999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.697 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.833 0 O4'-C1'-C2' 103.6 -2.272 . . . . 3.3599999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.697 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.896 0 O4'-C1'-C2' 104.02 -1.891 . . . . 2.1800000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.613 ' OP1' ' HA ' ' A' ' 31' ' ' SER . . . . . . . . 0 O5'--C5' 1.425 -0.939 0 C3'-C2'-C1' 99.308 -2.423 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.894 0 C3'-C2'-C1' 99.526 -2.267 . . . . 1.3500000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.536 H2'' ' C8 ' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.513 -0.558 0 C3'-C2'-C1' 99.746 -2.11 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.536 ' C8 ' H2'' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C3'-C2'-C1' 99.519 -2.272 . . . . 1.3200000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 O4'-C1'-C2' 103.783 -2.106 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.58 ' H21' ' HB2' ' A' ' 57' ' ' ALA . . . . . . . . 0 O4'--C4' 1.455 0.82 0 C3'-C2'-C1' 99.381 -2.371 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.503 -1.294 0 O4'-C1'-C2' 103.913 -1.988 . . . . 1.3300000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.756 H2'' ' C5 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.624 1.426 0 O4'-C1'-C2' 103.797 -2.093 . . . . 1.0800000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.756 ' C5 ' H2'' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 P--OP1 1.474 -0.67 0 O4'-C1'-C2' 103.731 -2.154 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.456 ' N6 ' ' N4 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.216 0 C3'-C2'-C1' 99.039 -2.615 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.601 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.975 0 C3'-C2'-C1' 99.651 -2.178 . . . . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . 0.601 ' C5 ' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.989 0 C3'-C2'-C1' 99.765 -2.096 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.624 1.383 0 C3'-C2'-C1' 99.788 -2.08 . . . . 2.5499999999999998 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.697 0 C3'-C2'-C1' 99.461 -2.313 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.5 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.961 0 C3'-C2'-C1' 99.425 -2.339 . . . . 2.4500000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.556 ' C8 ' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.67 0 C3'-C2'-C1' 99.394 -2.362 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.556 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.89 0 C3'-C2'-C1' 99.581 -2.228 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.547 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.224 0 C3'-C2'-C1' 99.328 -2.408 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.547 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.925 0 C3'-C2'-C1' 99.638 -2.187 . . . . 3.4500000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' -1' ' ' ' DG' . . . . . 0.453 H2'' ' C8 ' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C3'-C2'-C1' 100.843 -1.327 . . . . 4.1699999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.453 ' C8 ' H2'' ' D' ' -1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.944 0 C3'-C2'-C1' 100.355 -1.675 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.42 ' C8 ' ' H72' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 O4'-C1'-N19 108.376 0.719 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.42 ' H72' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.085 0 C3'-C2'-C1' 99.236 -2.474 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.406 ' C2 ' ' O2 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.523 0.543 0 C3'-C2'-C1' 105.367 1.905 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.435 H2'' ' C5 ' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.628 0 C5'-C4'-O4' 108.262 -0.711 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ' DC' . . . . . 0.435 ' C5 ' H2'' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.512 -0.657 0 C3'-C2'-C1' 100.057 -1.888 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . 0.792 " H4'" " O5'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.407 -0.988 0 C4'-C3'-C2' 104.841 1.641 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.792 " O5'" " H4'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.532 0.758 0 O4'-C4'-C3' 103.896 -1.704 . . . . 2.2799999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.675 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 100.88 -1.3 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.044 0 C3'-C2'-C1' 100.459 -1.6 . . . . 2.1400000000000001 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.995 H2'' " O5'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.44 0.681 0 C3'-C2'-C1' 105.305 1.861 . . . . 2.1600000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.995 " O5'" H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.919 0 C4'-C3'-C2' 105.007 1.807 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.71 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 P--O3' 1.591 -1.311 0 O4'-C4'-C3' 103.702 -1.898 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.7 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 P--O3' 1.621 1.135 0 C4'-C3'-C2' 101.422 -1.778 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.7 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.662 0 C3'-C2'-C1' 104.354 1.182 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.66 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.693 0 C3'-C2'-C1' 105.773 2.195 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.554 " O5'" H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C3'--C2' 1.513 -0.478 0 C4'-C3'-C2' 102.546 -0.654 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' ' DT' . . . . . 0.584 H2'' ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.41 -0.764 0 C3'-C2'-C1' 105.165 1.761 . . . . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.623 H2'' " O4'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.71 0 C1'-O4'-C4' 110.638 0.67 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ' DC' . . . . . 0.663 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.055 0 C4'-C3'-C2' 104.098 0.898 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ' DC' . . . . . 0.663 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.047 0 C3'-C2'-C1' 100.324 -1.697 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' ' DG' . . . . . 0.957 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.644 0 O4'-C1'-C2' 107.275 1.068 . . . . 3.9500000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.467 ' SD ' ' HG2' ' A' ' 2' ' ' LYS . 2.6 ttm . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 120.97 0.415 . . . . 5.7999999999999998 110.229 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.467 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 50.7 mmtt -97.62 141.5 23.1 Favored Pre-proline 0 C--N 1.326 -0.44 0 CA-C-N 116.203 -0.453 . . . . 5.2400000000000002 110.422 -179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -75.91 46.81 1.8 Allowed 'Trans proline' 0 C--N 1.352 0.728 0 C-N-CA 122.285 1.99 . . . . 3.9199999999999999 113.189 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 2.5 p -94.32 109.28 21.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 O-C-N 122.142 -0.349 . . . . 1.8400000000000001 110.953 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.618 HG21 " H3'" ' D' ' 12' ' ' ' DG' . 11.8 p -126.5 -169.53 2.04 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 116.528 -0.306 . . . . 2.0899999999999999 110.934 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.531 ' HG ' ' OP2' ' D' ' 13' ' ' ' DC' . 0.3 OUTLIER -53.91 -16.65 1.94 Allowed 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 116.096 -0.502 . . . . 1.21 111.899 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 -80.99 -32.4 34.32 Favored 'General case' 0 CA--C 1.53 0.186 0 CA-C-O 120.892 0.377 . . . . 1.8600000000000001 111.008 179.757 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -79.5 -44.79 20.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.386 -0.37 . . . . 2.1200000000000001 110.252 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.457 ' HB ' HG21 ' A' ' 20' ' ' VAL . 4.4 t -64.56 -26.83 41.17 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 CA-C-N 115.979 -0.555 . . . . 0.92000000000000004 111.003 179.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.476 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -60.67 -57.36 13.04 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.075 0.465 . . . . 1.02 110.65 179.525 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -59.39 -45.54 91.19 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.47 -0.786 . . . . 2.4500000000000002 110.251 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -60.34 -22.7 63.55 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-N 115.831 -0.622 . . . . 1.78 111.593 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -104.11 -10.09 18.25 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.112 -0.495 . . . . 1.1100000000000001 112.267 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.45 30.08 50.65 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 121.092 -0.575 . . . . 1.1699999999999999 112.425 179.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.2 m -139.02 -174.53 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.518 -0.263 0 N-CA-C 109.975 -0.38 . . . . 1.0800000000000001 109.975 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.6 p -86.67 168.58 13.46 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 109.137 -0.69 . . . . 1.9199999999999999 109.137 179.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.476 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 50.1 p90 -66.06 -18.29 65.25 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 121.185 -0.206 . . . . 0.96999999999999997 111.218 -179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.436 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 42.8 tp60 -68.96 -29.57 67.83 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-O 120.481 0.181 . . . . 2.23 110.938 -179.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.5 m -68.08 -37.14 80.89 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.869 0.366 . . . . 1.21 110.092 179.14 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.529 ' HA ' HG11 ' A' ' 38' ' ' VAL . 39.0 t -67.75 -37.25 78.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-N 115.833 -0.621 . . . . 1.5900000000000001 110.629 178.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 41.5 t -81.26 -20.99 39.74 Favored 'General case' 0 CA--C 1.535 0.388 0 CA-C-O 121.19 0.519 . . . . 1.6000000000000001 110.742 179.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.436 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 3.6 ttp180 -64.26 -31.58 72.84 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.666 -0.697 . . . . 4.2699999999999996 112.432 -178.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 19.2 m -87.46 -4.87 10.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 C-N-CA 119.988 -0.685 . . . . 1.76 112.557 -179.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.4 t -84.22 -53.98 9.85 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.904 0 CA-C-O 121.26 0.553 . . . . 1.8700000000000001 110.991 -179.836 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 48.6 m-80 -94.68 -65.64 0.97 Allowed 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.535 -0.757 . . . . 1.6699999999999999 112.24 -179.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -62.69 -59.53 4.77 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 112.367 0.506 . . . . 3.3399999999999999 112.367 -177.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 59.03 31.1 21.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.757 -0.656 . . . . 1.8999999999999999 110.626 -178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.2 t -91.68 -155.08 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.959 -0.564 . . . . 2.1400000000000001 111.724 -178.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 -66.64 99.6 0.61 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.03 -0.532 . . . . 3.8900000000000001 112.25 -179.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.458 ' C ' ' H ' ' A' ' 32' ' ' ALA . 24.1 t -106.76 69.76 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.901 0 CA-C-N 115.476 -0.784 . . . . 1.55 109.786 179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.7 m 67.69 -18.96 0.14 Allowed 'General case' 0 CA--C 1.535 0.384 0 CA-C-N 114.916 -1.038 . . . . 1.78 112.507 179.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 70.84 2.16 4.06 Favored 'General case' 0 N--CA 1.466 0.338 0 C-N-CA 123.036 0.534 . . . . 1.53 110.632 -179.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -119.87 -45.9 2.46 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.76 0.79 . . . . 4.2000000000000002 109.653 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.85 0.17 57.2 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.577 -1.192 . . . . 1.48 111.043 -179.696 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.428 HH11 ' HD3' ' A' ' 35' ' ' ARG . 39.8 ttt-85 -69.35 -55.93 8.96 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 115.888 -0.596 . . . . 3.46 109.599 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -68.94 -30.89 69.43 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.878 -0.601 . . . . 2.6400000000000001 110.198 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -55.76 -51.35 67.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.925 -0.58 . . . . 3.54 110.475 179.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.529 HG11 ' HA ' ' A' ' 20' ' ' VAL . 62.0 t -66.38 -45.05 90.39 Favored 'Isoleucine or valine' 0 C--O 1.238 0.467 0 CA-C-O 120.692 0.282 . . . . 1.8400000000000001 111.123 179.418 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -55.38 -35.9 65.79 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 116.431 -0.35 . . . . 1.8400000000000001 111.447 -179.606 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -85.23 -43.29 13.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 122.149 -0.344 . . . . 1.25 111.662 -179.673 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.17 -41.39 83.76 Favored 'General case' 0 CA--C 1.517 -0.306 0 N-CA-C 111.6 0.222 . . . . 1.0900000000000001 111.6 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.7 ptm -62.58 -34.79 77.69 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.173 -0.611 . . . . 1.4399999999999999 111.175 -179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.7 -31.37 41.25 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 120.992 0.425 . . . . 1.3899999999999999 110.538 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -71.1 -38.32 72.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.916 -0.584 . . . . 2.0800000000000001 111.416 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 31.6 mt -86.56 6.46 30.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.411 -0.359 . . . . 1.1899999999999999 111.188 -179.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 35.5 t30 61.54 25.48 15.4 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.1 0.476 . . . . 2.04 110.712 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.559 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 16.7 t80 -65.98 144.08 56.98 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.826 -0.625 . . . . 1.77 111.41 -179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.408 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 2.6 tp -134.9 108.03 10.63 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-N 115.4 -0.818 . . . . 2.0299999999999998 109.211 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.56 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 23.4 Cg_exo -66.98 30.73 0.12 Allowed 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 123.885 3.056 . . . . 0.92000000000000004 114.618 -178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 57.93 -173.48 0.09 Allowed 'General case' 0 N--CA 1.468 0.432 0 N-CA-C 112.796 0.665 . . . . 1.55 112.796 178.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.5 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 0.0 OUTLIER -137.31 -42.97 0.56 Allowed 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 116.058 -0.519 . . . . 3.5299999999999998 111.808 179.388 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 0.7 OUTLIER -96.31 -19.36 19.32 Favored 'General case' 0 C--O 1.224 -0.242 0 CA-C-N 116.602 -0.272 . . . . 1.6499999999999999 111.537 -179.05 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.34 -25.98 67.08 Favored 'General case' 0 C--O 1.223 -0.312 0 CA-C-O 121.308 0.575 . . . . 0.96999999999999997 110.438 -179.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 81.9 mt-30 -68.85 -17.55 64.01 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-N 115.59 -0.732 . . . . 1.6699999999999999 110.845 179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 83.7 mt-30 -79.34 -68.04 0.7 Allowed 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.122 -0.49 . . . . 2.1200000000000001 110.467 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.9 tp -58.35 -7.11 0.79 Allowed 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 114.121 1.156 . . . . 1.4399999999999999 114.121 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -88.07 4.53 44.93 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.578 0.584 . . . . 1.8600000000000001 112.578 -178.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 171.52 158.54 15.73 Favored Glycine 0 CA--C 1.506 -0.505 0 C-N-CA 120.516 -0.849 . . . . 2.7599999999999998 111.529 179.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 19.0 tttt 63.91 -139.49 0.31 Allowed 'General case' 0 CA--C 1.537 0.478 0 N-CA-C 109.665 -0.495 . . . . 7.1600000000000001 109.665 -179.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 64.38 -74.15 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.084 0.469 . . . . 6.4100000000000001 111.176 179.577 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.579 ' HB3' ' N ' ' B' ' 1' ' ' MET . 0.7 OUTLIER -75.65 -14.09 60.35 Favored 'General case' 0 C--N 1.316 -0.866 0 CA-C-N 116.494 -0.321 . . . . 6.96 111.525 -179.716 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.238 0.497 0 CA-C-N 116.132 -0.486 . . . . 8.8000000000000007 109.743 179.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.579 ' N ' ' HB3' ' A' ' 61' ' ' SER . 76.9 mtp . . . . . 0 CA--C 1.515 -0.378 0 N-CA-C 109.973 -0.38 . . . . 7.5099999999999998 109.973 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.589 ' H ' ' HD2' ' B' ' 3' ' ' PRO . 32.8 ttmt -150.82 -52.32 0.02 OUTLIER Pre-proline 0 C--N 1.321 -0.646 0 C-N-CA 120.757 -0.377 . . . . 7.8300000000000001 111.923 179.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.589 ' HD2' ' H ' ' B' ' 2' ' ' LYS . 57.9 Cg_endo -86.86 -167.76 0.38 Allowed 'Trans proline' 0 N--CA 1.461 -0.415 0 C-N-CA 121.143 1.229 . . . . 3.0499999999999998 113.041 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.0 p -71.04 150.15 9.6 Favored 'Isoleucine or valine' 0 C--O 1.239 0.527 0 N-CA-C 108.497 -0.927 . . . . 1.95 108.497 178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 29.7 p -143.76 171.58 14.01 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.743 0.306 . . . . 1.74 110.483 179.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.496 ' HB3' ' CE1' ' B' ' 17' ' ' TYR . 0.8 OUTLIER -69.12 -14.81 63.21 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 116.153 -0.476 . . . . 1.27 111.21 179.583 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 26.9 m-85 -76.18 -23.96 54.73 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 109.037 -0.727 . . . . 1.1499999999999999 109.037 179.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -68.81 -48.88 62.49 Favored 'General case' 0 CA--C 1.517 -0.301 0 CA-C-N 115.591 -0.731 . . . . 1.8100000000000001 111.101 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 35.5 m -66.51 -31.48 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.799 -0.637 . . . . 1.6000000000000001 111.67 -178.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.459 ' HA ' ' HB ' ' B' ' 15' ' ' VAL . . . -70.83 -36.43 72.9 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 112.168 0.433 . . . . 1.22 112.168 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -82.68 -38.02 23.98 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.88 0.372 . . . . 2.73 111.134 -179.397 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -60.33 -53.48 57.14 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 113.491 0.923 . . . . 1.71 113.491 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -101.04 -8.34 22.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 113.205 0.817 . . . . 1.21 113.205 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.91 48.33 5.83 Favored Glycine 0 C--N 1.336 0.554 0 C-N-CA 119.48 -1.343 . . . . 1.53 111.138 -179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.459 ' HB ' ' HA ' ' B' ' 10' ' ' ALA . 40.4 t -93.95 145.69 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.57 0 CA-C-O 121.076 0.465 . . . . 1.79 111.015 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.54 15.03 1.4 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.381 -0.827 . . . . 2.1600000000000001 113.079 -177.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.496 ' CE1' ' HB3' ' B' ' 6' ' ' LEU . 8.0 t80 58.3 17.39 4.67 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.316 0.646 . . . . 2.1899999999999999 111.968 179.199 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.482 ' HB2' ' H41' ' C' ' 15' ' ' ' DC' . 0.0 OUTLIER -127.0 -32.74 2.5 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-O 121.559 0.695 . . . . 3.1699999999999999 109.22 -179.545 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.577 HG22 HG13 ' B' ' 30' ' ' VAL . 0.0 OUTLIER -83.8 -8.67 59.17 Favored 'General case' 0 N--CA 1.439 -1.008 0 N-CA-C 113.186 0.81 . . . . 1.4099999999999999 113.186 -178.451 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.414 HG13 HG11 ' B' ' 15' ' ' VAL . 0.0 OUTLIER -84.16 -59.21 2.91 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.11 0 O-C-N 122.124 -0.36 . . . . 1.6200000000000001 110.802 -179.681 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 7.7 m -53.89 -28.23 35.2 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.064 -0.516 . . . . 1.8600000000000001 112.029 -179.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.435 HH12 " H3'" ' C' ' 14' ' ' ' DA' . 0.0 OUTLIER -65.52 -41.53 93.01 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.935 -0.575 . . . . 5.2400000000000002 110.436 -179.888 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.401 HG21 HG21 ' B' ' 38' ' ' VAL . 87.8 t -67.94 -28.04 39.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-O 121.494 0.664 . . . . 1.77 109.85 -179.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 10.9 t -79.89 -42.75 22.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 115.199 -0.91 . . . . 1.97 111.075 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 62.4 t-20 -95.86 -76.67 0.49 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 111.994 0.368 . . . . 3.75 111.994 -179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 19.3 tp60 -153.22 100.74 2.49 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.384 0.612 . . . . 4.8200000000000003 111.388 -178.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.89 146.72 54.39 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.2 -0.909 . . . . 2.5600000000000001 110.541 178.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 9.3 t -142.07 -80.42 0.23 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.475 -0.329 . . . . 3.7799999999999998 110.267 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -99.75 57.5 1.01 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.282 0.563 . . . . 2.6899999999999999 111.064 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.577 HG13 HG22 ' B' ' 19' ' ' THR . 11.9 t -103.05 113.99 41.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 114.855 -1.066 . . . . 1.52 110.189 178.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.506 ' HB3' ' OG1' ' B' ' 34' ' ' THR . 24.4 t -60.1 149.09 33.62 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.518 0.675 . . . . 1.8500000000000001 110.917 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.402 ' HA ' ' CD ' ' B' ' 35' ' ' ARG . . . -62.19 -24.08 66.99 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.626 -0.715 . . . . 1.48 111.559 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 4.1 mptp? -83.62 -22.9 32.09 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.188 0.518 . . . . 3.6800000000000002 110.323 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.506 ' OG1' ' HB3' ' B' ' 31' ' ' SER . 0.2 OUTLIER -90.86 -32.13 16.17 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.294 -0.412 . . . . 1.8100000000000001 112.004 -178.515 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.517 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 17.2 ptp180 -66.79 -14.54 62.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.16 -0.473 . . . . 3.48 112.088 -177.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -89.71 -40.64 12.4 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-O 120.698 0.285 . . . . 1.96 110.876 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 86.5 mttt -63.85 -41.07 97.88 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-O 120.886 0.374 . . . . 2.8199999999999998 110.675 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.401 HG21 HG21 ' B' ' 23' ' ' VAL . 18.4 m -64.73 -33.81 65.81 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.004 0 CA-C-N 115.377 -0.829 . . . . 1.4299999999999999 110.496 -178.24 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.517 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 4.3 mt-10 -73.5 -44.22 58.28 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 109.839 -0.43 . . . . 2.27 109.839 179.59 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.85 -41.57 74.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 1.26 110.95 178.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.65 -40.88 88.86 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.246 0.546 . . . . 0.80000000000000004 110.823 -179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.1 mtm -73.73 -36.16 65.14 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.823 -0.626 . . . . 1.52 111.367 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.89 -41.89 70.72 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.929 0.395 . . . . 1.0600000000000001 111.572 179.111 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -66.56 -48.36 69.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.566 . . . . 2.1899999999999999 110.984 -179.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 11.5 mt -84.19 -1.67 55.51 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.845 -0.616 . . . . 1.28 111.928 -179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 52.35 58.36 5.49 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-O 121.367 0.603 . . . . 1.8400000000000001 111.598 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -64.31 119.21 9.88 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.118 -0.633 . . . . 1.28 110.814 179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 33.4 mm -105.51 123.22 40.16 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 115.595 -0.729 . . . . 1.3899999999999999 109.041 179.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_exo -50.68 99.31 0.04 OUTLIER 'Trans proline' 0 C--N 1.351 0.663 0 C-N-CA 122.758 2.305 . . . . 1.3799999999999999 112.983 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 22.3 t30 -84.46 103.34 13.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.629 -0.714 . . . . 2.0800000000000001 111.492 -178.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.506 ' HG3' ' OE1' ' B' ' 54' ' ' GLN . 2.5 mpp_? -85.99 100.0 11.83 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 122.443 1.116 . . . . 3.4399999999999999 110.379 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 35.7 t -176.3 -69.34 0.01 OUTLIER 'General case' 0 C--N 1.307 -1.28 0 CA-C-N 113.458 -1.701 . . . . 1.8999999999999999 107.429 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -76.93 13.09 1.13 Allowed 'General case' 0 C--O 1.219 -0.531 0 CA-C-O 121.227 0.537 . . . . 1.21 110.886 177.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.506 ' OE1' ' HG3' ' B' ' 51' ' ' ARG . 3.5 mt-30 -88.83 -46.38 9.0 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 108.48 -0.933 . . . . 1.74 108.48 178.291 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.468 ' HG3' ' N ' ' B' ' 56' ' ' LEU . 4.8 pt20 -85.88 -34.25 21.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 107.934 -1.136 . . . . 3.2799999999999998 107.934 176.091 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' B' ' 56' ' ' LEU . 40.5 tp -83.19 53.48 2.48 Favored 'General case' 0 C--O 1.223 -0.335 0 CA-C-N 114.83 -1.077 . . . . 1.6699999999999999 109.137 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -143.81 0.69 1.11 Allowed 'General case' 0 C--N 1.311 -1.09 0 CA-C-N 115.891 -0.595 . . . . 2.1299999999999999 111.839 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 156.71 -34.31 0.58 Allowed Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 118.924 -1.608 . . . . 2.1699999999999999 113.827 -179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -135.38 113.97 11.73 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.787 -0.365 . . . . 6.1399999999999997 111.86 -178.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -62.1 145.09 54.28 Favored 'General case' 0 CA--C 1.532 0.27 0 CA-C-N 116.327 -0.397 . . . . 6.6900000000000004 111.46 179.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 13.5 m -117.72 38.32 3.66 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.691 0.757 . . . . 6.6100000000000003 109.918 179.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.243 0.763 0 CA-C-N 115.052 -0.976 . . . . 8.7799999999999994 109.895 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' -1' ' ' ' DC' . . . . . 0.964 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.081 0 C3'-C2'-C1' 99.401 -2.356 . . . . 5.3099999999999996 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.563 ' C8 ' H2'' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.194 0 C3'-C2'-C1' 99.301 -2.428 . . . . 4.6799999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.553 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.837 0 O4'-C1'-C2' 103.826 -2.067 . . . . 3.3599999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.603 " H1'" ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.841 0 C3'-C2'-C1' 99.794 -2.076 . . . . 2.1800000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.603 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 O4'-C1'-C2' 103.756 -2.131 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.415 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.873 0 O4'-C1'-C2' 103.692 -2.189 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 103.88 -2.018 . . . . 1.5600000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.139 0 C3'-C2'-C1' 98.718 -2.844 . . . . 1.3200000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.438 -2.33 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.292 -2.434 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.474 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.993 0 O4'-C1'-C2' 103.907 -1.994 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.474 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.969 0 O4'-C1'-C2' 103.793 -2.097 . . . . 1.0800000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.785 0 C3'-C2'-C1' 99.416 -2.346 . . . . 0.97999999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.222 0 C3'-C2'-C1' 98.913 -2.705 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.435 " H3'" HH12 ' B' ' 22' ' ' ARG . . . . . . . . 0 C2'--C1' 1.508 -0.948 0 C3'-C2'-C1' 99.696 -2.145 . . . . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . 0.482 ' H41' ' HB2' ' B' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 O4'-C1'-C2' 104.1 -1.818 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.838 0 C3'-C2'-C1' 99.821 -2.057 . . . . 2.5499999999999998 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 C3'-C2'-C1' 100.066 -1.881 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.501 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 99.046 -2.61 . . . . 2.4500000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.501 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O4'--C4' 1.454 0.75 0 O4'-C1'-C2' 103.618 -2.256 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.44 H2'' ' C7 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.812 0 C3'-C2'-C1' 99.61 -2.207 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.512 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.033 0 C3'-C2'-C1' 99.278 -2.444 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.512 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.002 0 C3'-C2'-C1' 99.74 -2.114 . . . . 3.4500000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.949 0 C5'-C4'-C3' 116.327 1.085 . . . . 4.1699999999999999 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.649 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.799 0 C3'-C2'-C1' 100.092 -1.863 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.649 ' C8 ' H2'' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 O4'-C1'-C2' 105.309 -0.719 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.501 " H1'" ' C6 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C3'-C2'-C1' 98.832 -2.763 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.501 ' C6 ' " H1'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 O4'-C1'-C2' 104.536 -1.421 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 C5'-C4'-C3' 115.929 0.819 . . . . 1.8100000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ' DC' . . . . . 0.7 H2'' " O5'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.527 0.923 0 C3'-C2'-C1' 105.131 1.736 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . 0.7 " O5'" H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 P--O3' 1.62 1.075 0 C3'-C2'-C1' 101.076 -1.16 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.697 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.52 -0.813 0 C1'-O4'-C4' 107.021 -1.914 . . . . 2.2799999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.697 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 101.458 -0.887 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.878 0 O4'-C1'-C2' 104.588 -1.374 . . . . 2.1400000000000001 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.492 H2'' " O4'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.532 0.763 0 C3'-C2'-C1' 105.323 1.874 . . . . 2.1600000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.618 " H3'" HG21 ' A' ' 5' ' ' THR . . . . . . . . 0 O4'--C1' 1.407 -0.985 0 C3'-C2'-C1' 105.451 1.965 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.56 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 P--O3' 1.595 -0.996 0 C3'-C2'-C1' 104.887 1.562 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.695 " H2'" ' C5 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.819 0 C3'-C2'-C1' 105.834 2.239 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.695 ' C5 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.87 0 C1'-O4'-C4' 110.766 0.761 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.411 -0.716 0 N19-C1'-C2' 115.877 1.048 . . . . 2.02 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.618 H2'' ' C5 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.82 0 C3'-C2'-C1' 101.794 -0.647 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' ' DT' . . . . . 0.618 ' C5 ' H2'' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 C3'-C2'-C1' 105.75 2.178 . . . . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.462 " H2'" ' C5 ' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.409 -0.819 0 C4'-C3'-C2' 105.092 1.892 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ' DC' . . . . . 0.462 ' C5 ' " H2'" ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.42 -1.23 0 C3'-C2'-C1' 101.213 -1.062 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ' DC' . . . . . 0.53 H2'' ' C8 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.635 0 C3'-C2'-C1' 100.173 -1.805 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' ' DG' . . . . . 0.964 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.94 0 C3'-C2'-C1' 101.496 -0.86 . . . . 3.9500000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 tmt? . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 109.726 -0.472 . . . . 5.7999999999999998 109.726 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -104.46 112.84 65.46 Favored Pre-proline 0 C--N 1.325 -0.485 0 N-CA-C 111.826 0.306 . . . . 5.2400000000000002 111.826 -178.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.9 Cg_exo -71.97 89.52 0.77 Allowed 'Trans proline' 0 N--CA 1.459 -0.521 0 C-N-CA 122.455 2.103 . . . . 3.9199999999999999 111.281 178.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.479 HG23 ' HB3' ' A' ' 8' ' ' ASP . 2.5 p -71.21 105.38 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.774 -0.648 . . . . 1.8400000000000001 111.531 -179.234 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.551 HG21 " H3'" ' D' ' 12' ' ' ' DG' . 2.2 p -111.03 -171.34 1.81 Allowed 'General case' 0 C--O 1.243 0.74 0 CA-C-N 116.078 -0.51 . . . . 2.0899999999999999 109.658 179.219 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.671 HD13 ' HB2' ' A' ' 17' ' ' TYR . 0.8 OUTLIER -58.66 -22.78 57.77 Favored 'General case' 0 N--CA 1.468 0.425 0 CA-C-O 120.722 0.296 . . . . 1.21 111.753 179.501 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -71.1 -28.39 64.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.375 -0.375 . . . . 1.8600000000000001 110.726 179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.479 ' HB3' HG23 ' A' ' 4' ' ' VAL . 30.4 t0 -87.94 -46.23 9.56 Favored 'General case' 0 CA--C 1.512 -0.499 0 CA-C-N 116.317 -0.401 . . . . 2.1200000000000001 110.094 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 5' ' ' THR . 37.1 t -59.92 -26.96 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 CA-C-N 115.825 -0.625 . . . . 0.92000000000000004 110.071 179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.68 -49.83 75.93 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 115.936 -0.575 . . . . 1.02 110.49 179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -62.68 -51.74 66.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.859 0.361 . . . . 2.4500000000000002 110.429 179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 68.8 t80 -56.05 -31.44 63.16 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.566 -0.743 . . . . 1.78 110.637 -179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -87.4 -18.74 29.31 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-N 115.897 -0.592 . . . . 1.1100000000000001 112.1 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 81.63 21.54 61.7 Favored Glycine 0 C--O 1.226 -0.356 0 C-N-CA 120.603 -0.808 . . . . 1.1699999999999999 112.479 -179.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 m -136.75 -171.77 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 117.344 0.572 . . . . 1.0800000000000001 110.085 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.4 m -89.66 169.74 11.06 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.295 0.569 . . . . 1.9199999999999999 110.513 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.671 ' HB2' HD13 ' A' ' 6' ' ' LEU . 4.5 p90 -66.42 -18.28 65.27 Favored 'General case' 0 C--N 1.319 -0.757 0 CA-C-N 115.911 -0.586 . . . . 0.96999999999999997 112.571 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.473 ' HG2' ' N7 ' ' C' ' 5' ' ' ' DG' . 40.2 tp60 -67.99 -34.96 77.51 Favored 'General case' 0 N--CA 1.464 0.263 0 N-CA-C 109.902 -0.407 . . . . 2.23 109.902 179.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.16 -37.54 83.93 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.086 -0.506 . . . . 1.21 110.231 178.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.415 ' HA ' HG11 ' A' ' 38' ' ' VAL . 13.0 t -67.58 -43.67 86.86 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 CA-C-O 120.768 0.318 . . . . 1.5900000000000001 110.157 179.565 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.0 m -60.9 -31.65 71.14 Favored 'General case' 0 C--O 1.239 0.511 0 CA-C-O 121.589 0.709 . . . . 1.6000000000000001 111.005 179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 66.5 mtp180 -72.13 -34.23 68.39 Favored 'General case' 0 C--N 1.318 -0.777 0 N-CA-C 113.432 0.901 . . . . 4.2699999999999996 113.432 -176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.485 HG11 ' HB ' ' A' ' 38' ' ' VAL . 33.2 m -78.51 -12.6 13.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 118.345 0.521 . . . . 1.76 111.217 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.9 t -78.57 -50.0 19.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.586 0.708 . . . . 1.8700000000000001 109.538 177.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 64.3 m-80 -90.91 -64.4 1.14 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.147 -0.933 . . . . 1.6699999999999999 111.87 -178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -65.95 -73.01 0.14 Allowed 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 112.185 0.439 . . . . 3.3399999999999999 112.185 -178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.441 ' O ' ' HD2' ' A' ' 35' ' ' ARG . . . 57.1 27.28 13.16 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 116.068 -0.514 . . . . 1.8999999999999999 111.873 -179.659 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -115.16 -82.64 0.62 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.182 0.515 . . . . 2.1400000000000001 111.542 -179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -85.44 90.4 7.94 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.723 -0.671 . . . . 3.8900000000000001 111.479 -179.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.464 ' C ' ' H ' ' A' ' 32' ' ' ALA . 11.0 t -134.17 79.82 0.51 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.379 0 CA-C-O 120.672 0.272 . . . . 1.55 110.484 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.437 ' HB2' ' OP1' ' C' ' 4' ' ' ' DA' . 21.6 t 60.07 -2.64 0.14 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 115.525 -0.762 . . . . 1.78 112.415 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 59.03 23.0 11.11 Favored 'General case' 0 C--O 1.223 -0.291 0 CA-C-O 121.552 0.692 . . . . 1.53 110.613 -178.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -150.84 -57.11 0.16 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 114.97 -1.013 . . . . 4.2000000000000002 110.421 -179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -81.74 31.56 0.36 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.629 0.728 . . . . 1.48 112.068 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.513 HH21 ' HG2' ' A' ' 36' ' ' GLU . 13.3 ttp85 -82.67 -45.76 14.08 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 121.887 0.851 . . . . 3.46 109.164 -179.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.513 ' HG2' HH21 ' A' ' 35' ' ' ARG . 84.7 mt-10 -80.94 -19.6 43.85 Favored 'General case' 0 N--CA 1.445 -0.711 0 CA-C-N 114.801 -1.091 . . . . 2.6400000000000001 111.581 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -57.01 -65.42 0.62 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-O 120.812 0.339 . . . . 3.54 110.166 -178.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.485 ' HB ' HG11 ' A' ' 23' ' ' VAL . 2.1 t -62.4 -36.63 75.75 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.68 0 CA-C-N 115.954 -0.566 . . . . 1.8400000000000001 111.456 -179.23 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -60.95 -32.24 71.77 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 121.063 -0.255 . . . . 1.8400000000000001 111.336 179.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -86.07 -26.77 25.13 Favored 'General case' 0 C--O 1.222 -0.369 0 N-CA-C 109.463 -0.569 . . . . 1.25 109.463 178.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.06 67.72 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-N 116.033 -0.53 . . . . 1.0900000000000001 110.496 -179.299 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 27.0 ptm -60.81 -34.74 74.98 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.109 -0.496 . . . . 1.4399999999999999 109.786 178.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -74.92 -36.53 62.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.675 -0.693 . . . . 1.3899999999999999 110.889 179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -58.51 -44.19 89.4 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.215 -0.902 . . . . 2.0800000000000001 111.826 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 17.6 mt -95.68 4.06 53.36 Favored 'General case' 0 C--N 1.316 -0.861 0 CA-C-N 115.863 -0.608 . . . . 1.1899999999999999 112.004 -177.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 41.6 t30 57.34 48.21 15.29 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-O 122.265 1.031 . . . . 2.04 110.387 -178.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.524 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 13.2 t80 -72.0 125.3 26.9 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.504 -1.225 . . . . 1.77 111.692 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.463 HG13 ' H ' ' A' ' 50' ' ' ASN . 5.4 tp -110.35 105.04 56.85 Favored Pre-proline 0 C--N 1.317 -0.81 0 CA-C-N 115.008 -0.996 . . . . 2.0299999999999998 109.455 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.764 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 23.2 Cg_exo -67.38 15.25 0.13 Allowed 'Trans proline' 0 N--CA 1.481 0.776 0 C-N-CA 124.043 3.162 . . . . 0.92000000000000004 114.527 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.463 ' H ' HG13 ' A' ' 48' ' ' ILE . 60.9 m-80 59.92 -171.97 0.13 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.981 0.42 . . . . 1.55 111.44 -179.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 11.0 ptt85 -135.31 -34.77 0.85 Allowed 'General case' 0 N--CA 1.444 -0.756 0 C-N-CA 120.652 -0.419 . . . . 3.5299999999999998 110.712 178.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 51' ' ' ARG . 84.6 m -89.43 -22.33 22.58 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.394 0.516 . . . . 1.6499999999999999 112.394 -178.271 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.16 -39.12 89.55 Favored 'General case' 0 CA--C 1.532 0.261 0 O-C-N 123.261 0.35 . . . . 0.96999999999999997 110.863 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.3 mt-30 -65.91 -35.25 80.12 Favored 'General case' 0 C--O 1.219 -0.525 0 CA-C-N 116.033 -0.531 . . . . 1.6699999999999999 111.19 -179.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.7 mt-30 -71.96 -69.55 0.38 Allowed 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 112.211 0.448 . . . . 2.1200000000000001 112.211 -179.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.8 tp -53.43 -17.37 1.91 Allowed 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.998 1.481 . . . . 1.4399999999999999 114.998 179.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -51.67 -57.93 7.8 Favored 'General case' 0 C--N 1.317 -0.833 0 C-N-CA 120.091 -0.643 . . . . 1.8600000000000001 110.659 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -108.94 43.38 1.72 Allowed Glycine 0 N--CA 1.44 -1.054 0 C-N-CA 119.62 -1.276 . . . . 2.7599999999999998 112.588 178.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.497 ' HE3' H5'' ' C' ' 10' ' ' ' DC' . 13.0 ttmt 53.24 -145.16 0.61 Allowed 'General case' 0 C--O 1.238 0.452 0 O-C-N 123.82 0.364 . . . . 7.1600000000000001 110.811 -179.192 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 58.48 -163.52 0.21 Allowed 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 123.327 0.651 . . . . 6.4100000000000001 111.631 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -97.04 -12.54 23.12 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-O 120.703 0.287 . . . . 6.96 111.469 -179.298 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 5.6 tp . . . . . 0 N--CA 1.47 0.539 0 CA-C-N 116.29 -0.414 . . . . 8.8000000000000007 110.455 -179.663 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 44.2 ttm . . . . . 0 N--CA 1.468 0.452 0 CA-C-O 121.409 0.624 . . . . 7.5099999999999998 110.229 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 7.5 mmtt -155.06 96.63 2.5 Favored Pre-proline 0 N--CA 1.442 -0.831 0 CA-C-N 115.328 -0.851 . . . . 7.8300000000000001 110.431 179.093 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -73.11 -172.94 1.11 Allowed 'Trans proline' 0 C--N 1.355 0.898 0 C-N-CA 123.08 2.52 . . . . 3.0499999999999998 111.642 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 9.8 p -61.35 156.46 3.66 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.341 0 CA-C-N 115.969 -0.56 . . . . 1.95 110.158 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.556 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 37.0 p -130.47 167.94 17.82 Favored 'General case' 0 N--CA 1.477 0.907 0 O-C-N 123.489 0.493 . . . . 1.74 110.369 178.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.447 ' HA ' HD22 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -78.76 -20.4 50.01 Favored 'General case' 0 C--N 1.314 -0.953 0 N-CA-C 109.788 -0.449 . . . . 1.27 109.788 179.787 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . 0.515 ' HH ' ' H5 ' ' C' ' 12' ' ' ' DC' . 37.0 m-85 -81.83 -27.91 33.36 Favored 'General case' 0 C--O 1.24 0.555 0 CA-C-N 115.41 -0.814 . . . . 1.1499999999999999 110.302 177.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -64.56 -49.67 70.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.06 0.457 . . . . 1.8100000000000001 111.058 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 16.6 m -71.97 -12.65 16.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.603 -0.726 . . . . 1.6000000000000001 111.673 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -86.99 -51.18 6.17 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.016 0.436 . . . . 1.22 110.985 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -67.4 -40.35 85.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.29 -0.868 . . . . 2.73 110.276 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 61.8 t80 -61.6 -41.0 96.82 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.949 0.404 . . . . 1.71 110.9 -178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -85.5 -10.03 56.62 Favored 'General case' 0 CA--C 1.51 -0.575 0 CA-C-N 116.121 -0.49 . . . . 1.21 111.811 -179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 64.34 32.2 83.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.258 -0.973 . . . . 1.53 111.362 -179.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 15.0 m -97.74 176.08 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.576 -0.312 . . . . 1.79 110.996 -178.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -91.01 11.55 22.6 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.647 -0.706 . . . . 2.1600000000000001 112.146 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.421 ' HB3' ' O ' ' B' ' 16' ' ' SER . 34.6 t80 73.54 -60.59 0.53 Allowed 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 122.589 0.355 . . . . 2.1899999999999999 111.627 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.577 ' OE1' ' C5 ' ' D' ' 6' ' ' ' DC' . 7.0 mp0 -58.91 -29.28 66.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-O 120.754 0.312 . . . . 3.1699999999999999 111.323 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.452 ' O ' HG23 ' B' ' 23' ' ' VAL . 0.2 OUTLIER -62.85 -36.92 84.85 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 116.154 -0.475 . . . . 1.4099999999999999 110.617 179.482 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 45.4 t -68.35 -45.97 81.53 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 CA-C-N 115.895 -0.593 . . . . 1.6200000000000001 110.336 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.77 -35.44 61.3 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.113 -0.494 . . . . 1.8600000000000001 112.132 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.483 ' NH2' ' HB3' ' B' ' 26' ' ' GLN . 10.4 mmm180 -79.63 -31.23 41.57 Favored 'General case' 0 CA--C 1.512 -0.504 0 O-C-N 122.104 -0.372 . . . . 5.2400000000000002 110.587 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.452 HG23 ' O ' ' B' ' 19' ' ' THR . 64.2 t -64.35 -39.37 85.31 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.771 0 C-N-CA 120.492 -0.483 . . . . 1.77 111.054 179.498 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 14.6 m -87.26 -20.09 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 N-CA-C 111.946 0.35 . . . . 1.97 111.946 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -110.27 -73.41 0.68 Allowed 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 112.362 0.505 . . . . 3.75 112.362 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . 0.483 ' HB3' ' NH2' ' B' ' 22' ' ' ARG . 18.5 tm0? -150.45 104.12 3.2 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.266 0.555 . . . . 4.8200000000000003 110.864 -177.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.454 ' HA ' ' HB3' ' B' ' 22' ' ' ARG . . . -94.05 125.25 38.57 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.566 -0.743 . . . . 2.5600000000000001 111.175 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.2 p -108.82 -78.6 0.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.264 -0.426 . . . . 3.7799999999999998 111.143 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -102.49 48.81 0.86 Allowed 'General case' 0 CA--C 1.512 -0.483 0 N-CA-C 110.044 -0.354 . . . . 2.6899999999999999 110.044 -179.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 59.1 t -99.19 122.06 50.51 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-N 115.74 -0.664 . . . . 1.52 110.714 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 45.3 t -73.02 141.55 47.68 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.229 0.538 . . . . 1.8500000000000001 110.452 179.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -63.35 -17.09 62.22 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.328 -0.396 . . . . 1.48 111.842 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 26.7 mmtp -67.15 -34.47 77.62 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 120.868 0.366 . . . . 3.6800000000000002 111.424 -179.767 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -88.34 -22.65 23.72 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.216 0.532 . . . . 1.8100000000000001 110.524 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.664 ' O ' HG22 ' B' ' 38' ' ' VAL . 25.8 ttt180 -69.31 -39.96 77.95 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 115.197 -0.91 . . . . 3.48 111.895 -178.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -34.63 78.83 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 122.007 0.908 . . . . 1.96 111.068 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 28.4 mmtm -61.84 -34.86 76.71 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.18 -0.918 . . . . 2.8199999999999998 112.361 -179.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.664 HG22 ' O ' ' B' ' 35' ' ' ARG . 3.0 m -75.61 -22.89 16.4 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.921 0 CA-C-N 116.246 -0.434 . . . . 1.4299999999999999 111.3 -177.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -67.25 -53.82 26.56 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.793 -0.447 . . . . 2.27 109.793 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -55.88 -40.31 72.78 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.176 -0.92 . . . . 1.26 111.155 178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.586 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -63.24 -56.96 12.25 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.062 -0.517 . . . . 0.80000000000000004 112.082 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 19.2 ptp -61.85 -33.34 74.0 Favored 'General case' 0 CA--C 1.536 0.405 0 O-C-N 123.483 0.49 . . . . 1.52 111.183 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -78.73 -36.79 42.73 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.56 0.578 . . . . 1.0600000000000001 112.56 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -75.86 -43.29 46.37 Favored 'General case' 0 CA--C 1.515 -0.401 0 CA-C-O 121.239 0.543 . . . . 2.1899999999999999 111.856 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.7 mt -90.89 -6.34 54.3 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.187 -0.46 . . . . 1.28 111.841 -178.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 56.6 t30 60.69 77.6 0.32 Allowed 'General case' 0 CA--C 1.534 0.357 0 O-C-N 124.136 0.898 . . . . 1.8400000000000001 110.898 179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 38.4 t80 -74.47 122.22 22.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.28 111.302 -179.303 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 39.5 mt -126.6 125.1 24.38 Favored Pre-proline 0 C--N 1.326 -0.433 0 N-CA-C 107.674 -1.232 . . . . 1.3899999999999999 107.674 178.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_exo -49.51 103.81 0.07 OUTLIER 'Trans proline' 0 C--N 1.349 0.567 0 C-N-CA 122.72 2.28 . . . . 1.3799999999999999 111.815 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 18.8 t30 -74.39 96.17 2.82 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 115.075 -0.966 . . . . 2.0800000000000001 110.533 -178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.532 ' HD3' ' OE1' ' B' ' 54' ' ' GLN . 30.8 mmt-85 -79.78 86.88 5.3 Favored 'General case' 0 CA--C 1.504 -0.806 0 CA-C-O 121.813 0.816 . . . . 3.4399999999999999 110.0 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 1.3 m -167.48 -64.4 0.03 OUTLIER 'General case' 0 C--N 1.306 -1.297 0 CA-C-N 113.528 -1.669 . . . . 1.8999999999999999 108.948 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.03 7.38 21.61 Favored 'General case' 0 C--O 1.221 -0.43 0 CA-C-N 115.962 -0.563 . . . . 1.21 110.395 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.532 ' OE1' ' HD3' ' B' ' 51' ' ' ARG . 96.8 mt-30 -90.55 -44.06 9.81 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.206 -0.452 . . . . 1.74 110.152 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.475 ' HB2' ' HA ' ' B' ' 60' ' ' GLN . 2.0 pt20 -71.57 -32.8 68.49 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 122.613 1.197 . . . . 3.2799999999999998 108.187 178.539 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.455 HD21 ' N2 ' ' D' ' 12' ' ' ' DG' . 19.1 tp -86.39 49.54 1.82 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 113.558 -1.655 . . . . 1.6699999999999999 110.092 179.509 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -155.84 -13.04 0.11 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.012 -0.54 . . . . 2.1299999999999999 112.142 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.78 -64.51 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.321 -0.466 . . . . 2.1699999999999999 112.917 179.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.4 mtmt -131.96 134.74 45.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.827 0.346 . . . . 6.1399999999999997 110.846 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.475 ' HA ' ' HB2' ' B' ' 55' ' ' GLN . 24.3 mp0 -62.05 -31.79 72.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.835 -0.62 . . . . 6.6900000000000004 110.879 178.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 19.8 m -138.37 141.53 39.65 Favored 'General case' 0 N--CA 1.446 -0.649 0 CA-C-N 115.964 -0.562 . . . . 6.6100000000000003 110.298 178.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 94.9 mt . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.375 -0.821 . . . . 8.7799999999999994 110.178 179.527 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' -1' ' ' ' DC' . . . . . 0.97 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.746 0 C3'-C2'-C1' 99.189 -2.508 . . . . 5.3099999999999996 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.552 ' C8 ' " H1'" ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.504 -1.223 0 C3'-C2'-C1' 98.886 -2.724 . . . . 4.6799999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.505 ' C8 ' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.791 -2.078 . . . . 3.3599999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.582 " H1'" ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.01 0 C3'-C2'-C1' 99.838 -2.044 . . . . 2.1800000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.582 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.457 1.027 0 O4'-C1'-C2' 103.511 -2.354 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.473 ' N7 ' ' HG2' ' A' ' 18' ' ' GLN . . . . . . . . 0 O5'--C5' 1.426 -0.869 0 C3'-C2'-C1' 99.689 -2.151 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.404 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.513 -0.58 0 O4'-C1'-C2' 103.982 -1.926 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.072 0 C3'-C2'-C1' 99.161 -2.528 . . . . 1.3200000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.402 H2'' ' C8 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.027 0 C3'-C2'-C1' 99.62 -2.2 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.402 ' C8 ' H2'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.751 0 O4'-C1'-C2' 103.784 -2.105 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.497 H5'' ' HE3' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.426 -0.853 0 O4'-C1'-C2' 103.597 -2.275 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.621 1.172 0 C3'-C2'-C1' 99.446 -2.324 . . . . 1.0800000000000001 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.556 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.507 -0.972 0 C3'-C2'-C1' 99.343 -2.398 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.895 0 C3'-C2'-C1' 99.748 -2.109 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.55 " H1'" ' C6 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.86 0 C3'-C2'-C1' 99.532 -2.263 . . . . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . 0.55 ' C6 ' " H1'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.511 -0.679 0 O4'-C1'-C2' 103.569 -2.301 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.427 ' OP2' " H2'" ' C' ' 16' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.031 0 C3'-C2'-C1' 99.98 -1.943 . . . . 2.5499999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 99.462 -2.313 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -0.97 0 C3'-C2'-C1' 99.283 -2.441 . . . . 2.4500000000000002 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.493 H2'' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.973 0 C3'-C2'-C1' 99.513 -2.277 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.493 ' C6 ' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 C3'-C2'-C1' 98.991 -2.649 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.403 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.456 0.873 0 C3'-C2'-C1' 99.269 -2.45 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.403 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.88 0 C3'-C2'-C1' 99.245 -2.468 . . . . 3.4500000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.793 0 O5'-P-OP2 106.485 -0.672 . . . . 4.1699999999999999 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.553 " H1'" ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.51 -0.75 0 C3'-C2'-C1' 99.329 -2.408 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.553 ' C8 ' " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.687 0 C1'-O4'-C4' 110.618 0.656 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.55 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.871 0 C3'-C2'-C1' 100.643 -1.469 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.55 ' C7 ' H2'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.699 0 O4'-C1'-C2' 105.251 -0.772 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.532 H2'' ' C5 ' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 101.308 -0.994 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ' DC' . . . . . 0.577 ' C5 ' ' OE1' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.509 -0.839 0 O4'-C4'-C3' 106.263 0.663 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.594 0 C3'-C2'-C1' 101.961 -0.528 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.703 H2'' " O4'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.895 0 C3'-C2'-C1' 105.087 1.705 . . . . 2.2799999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.724 H2'' " O5'" ' D' ' 10' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.763 0 C2'-C3'-O3' 112.607 0.743 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . 0.724 " O5'" H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 99.606 -2.21 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 1.092 H2'' " O5'" ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.444 1.006 0 O4'-C4'-C3' 104.089 -1.511 . . . . 2.1600000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 1.092 " O5'" H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 P--O3' 1.623 1.369 0 C1'-O4'-C4' 111.123 1.016 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.764 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 O5'--C5' 1.422 -1.146 0 C1'-O4'-C4' 106.428 -2.337 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.713 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.421 -1.201 0 O4'-C4'-C3' 104.242 -1.358 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.713 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.719 0 C1'-O4'-C4' 110.446 0.533 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.498 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.62 0 N19-C1'-C2' 115.279 0.675 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.475 ' H6 ' " O5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.663 0 C1'-O4'-C4' 111.001 0.929 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' ' DT' . . . . . 0.405 H2'' ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 P--O3' 1.62 1.102 0 N19-C1'-C2' 115.696 0.935 . . . . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.594 H2'' " O5'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.671 0 N19-C1'-C2' 115.805 1.003 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ' DC' . . . . . 0.594 " O5'" H2'' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.652 0 C4'-C3'-C2' 104.144 0.944 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ' DC' . . . . . 0.551 H2'' ' C8 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C4'-C3'-C2' 104.705 1.505 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' ' DG' . . . . . 0.97 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.762 0 C3'-C2'-C1' 99.869 -2.022 . . . . 3.9500000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.196 0 CA-C-O 120.807 0.337 . . . . 5.7999999999999998 110.271 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' HA ' ' HD3' ' A' ' 3' ' ' PRO . 96.5 mttt -94.03 149.02 36.23 Favored Pre-proline 0 C--O 1.235 0.307 0 N-CA-C 109.538 -0.542 . . . . 5.2400000000000002 109.538 179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 4.4 Cg_exo -77.97 74.94 5.04 Favored 'Trans proline' 0 CA--C 1.53 0.32 0 C-N-CA 122.416 2.077 . . . . 3.9199999999999999 114.05 -178.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 3.0 p -88.63 102.95 13.35 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 CA-C-O 121.524 0.678 . . . . 1.8400000000000001 109.406 177.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 ' HA ' ' CE1' ' A' ' 47' ' ' TYR . 46.9 p -121.01 -169.16 1.79 Allowed 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.373 0.606 . . . . 2.0899999999999999 112.109 -179.014 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.461 ' HG ' ' OP2' ' D' ' 13' ' ' ' DC' . 0.1 OUTLIER -52.03 -25.53 8.72 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 114.871 -1.059 . . . . 1.21 111.54 177.406 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.5 m-85 -76.65 -38.05 55.26 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-N 116.537 -0.301 . . . . 1.8600000000000001 110.717 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -70.66 -52.79 18.83 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 120.578 0.227 . . . . 2.1200000000000001 110.54 -179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 39.7 t -58.48 -33.81 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 CA-C-N 116.098 -0.501 . . . . 0.92000000000000004 111.123 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -53.66 -57.59 10.26 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.511 -0.768 . . . . 1.02 111.354 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -59.54 -40.07 86.04 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.431 -0.804 . . . . 2.4500000000000002 110.819 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -60.07 -42.76 95.24 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.051 -0.522 . . . . 1.78 111.518 -179.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.67 -23.43 36.89 Favored 'General case' 0 C--O 1.239 0.539 0 CA-C-N 116.407 -0.36 . . . . 1.1100000000000001 111.915 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.22 27.19 10.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.864 -0.684 . . . . 1.1699999999999999 112.514 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.41 ' HB ' ' OG1' ' A' ' 19' ' ' THR . 3.5 m -137.12 -173.0 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.223 -0.311 0 C-N-CA 122.733 0.413 . . . . 1.0800000000000001 109.935 -179.29 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 95.1 p -96.15 177.16 5.82 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.393 . . . . 1.9199999999999999 110.033 179.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 44.6 p90 -67.59 -18.9 65.16 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.374 -0.376 . . . . 0.96999999999999997 111.194 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.413 HE22 ' N4 ' ' D' ' 15' ' ' ' DC' . 5.9 tp-100 -69.73 -41.69 74.96 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-O 120.696 0.284 . . . . 2.23 111.106 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.41 ' OG1' ' HB ' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -66.21 -41.41 90.16 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.315 -0.402 . . . . 1.21 110.513 179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.39 -33.41 61.09 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-O 121.484 0.659 . . . . 1.5900000000000001 110.919 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.414 ' HB3' ' OP2' ' D' ' 14' ' ' ' DT' . 58.0 m -82.75 -30.03 29.3 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.768 -0.651 . . . . 1.6000000000000001 112.154 -179.061 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.453 ' HB3' HG22 ' A' ' 30' ' ' VAL . 0.1 OUTLIER -57.67 -24.67 57.88 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.017 0.747 . . . . 4.2699999999999996 113.017 -177.21 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.1 m -79.02 -46.41 23.68 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.42 0 O-C-N 121.936 -0.477 . . . . 1.76 111.793 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -77.67 -21.49 13.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 N-CA-C 111.846 0.313 . . . . 1.8700000000000001 111.846 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -77.19 -59.07 2.93 Favored 'General case' 0 N--CA 1.451 -0.423 0 CA-C-N 116.24 -0.436 . . . . 1.6699999999999999 112.051 -179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -136.66 -29.18 0.95 Allowed 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 112.183 0.438 . . . . 3.3399999999999999 112.183 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 66.58 65.39 0.47 Allowed 'General case' 0 CA--C 1.523 -0.059 0 C-N-CA 122.927 0.491 . . . . 1.8999999999999999 111.376 -179.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.4 m -104.78 -142.61 0.37 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.902 -0.59 . . . . 2.1400000000000001 109.529 178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.55 74.56 1.97 Allowed 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.89 0.852 . . . . 3.8900000000000001 111.889 179.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' HB3' ' A' ' 22' ' ' ARG . 12.2 t -88.3 77.49 1.45 Allowed 'Isoleucine or valine' 0 CA--C 1.503 -0.857 0 CA-C-N 115.066 -0.97 . . . . 1.55 109.661 179.302 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.411 ' HB3' ' O ' ' A' ' 30' ' ' VAL . 31.4 t 67.1 -40.1 0.38 Allowed 'General case' 0 C--N 1.327 -0.372 0 O-C-N 124.278 0.986 . . . . 1.78 113.192 179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.435 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 69.89 9.83 7.26 Favored 'General case' 0 C--N 1.341 0.221 0 N-CA-C 108.101 -1.074 . . . . 1.53 108.101 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -133.86 -38.88 0.88 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 113.969 -1.469 . . . . 4.2000000000000002 110.486 -179.154 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 3.2 p -104.2 3.64 33.08 Favored 'General case' 0 N--CA 1.456 -0.167 0 C-N-CA 120.334 -0.546 . . . . 1.48 111.081 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.449 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 0.0 OUTLIER -60.12 -57.11 14.25 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.238 -0.437 . . . . 3.46 110.119 179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.462 ' CD ' ' H ' ' A' ' 36' ' ' GLU . 1.0 OUTLIER -64.79 -37.14 86.6 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 115.918 -0.583 . . . . 2.6400000000000001 109.768 -179.889 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 57.3 tttt -54.17 -43.65 70.84 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.454 -0.794 . . . . 3.54 111.039 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 41.4 t -67.85 -43.74 85.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 123.719 0.637 . . . . 1.8400000000000001 110.348 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 42.2 mt-10 -60.35 -54.38 46.39 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.472 -0.785 . . . . 1.8400000000000001 110.674 -179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.63 78.53 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.479 -0.782 . . . . 1.25 111.15 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.33 88.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.575 -0.739 . . . . 1.0900000000000001 111.557 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 24.5 ttm -59.19 -39.13 81.6 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.617 -0.719 . . . . 1.4399999999999999 111.384 -179.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.98 -40.81 23.79 Favored 'General case' 0 C--N 1.312 -1.024 0 CA-C-N 116.14 -0.482 . . . . 1.3899999999999999 110.983 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 29.9 mm-40 -59.99 -55.0 39.43 Favored 'General case' 0 CA--C 1.534 0.356 0 N-CA-C 112.918 0.71 . . . . 2.0800000000000001 112.918 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 45.2 mt -80.3 -12.94 59.55 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.27 0.47 . . . . 1.1899999999999999 112.27 -178.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 65.8 t30 72.91 105.94 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.358 0.599 . . . . 2.04 109.599 -177.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.474 ' CE1' ' HA ' ' A' ' 5' ' ' THR . 10.8 t80 -141.83 131.59 24.21 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.776 -0.647 . . . . 1.77 110.0 -178.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.457 ' C ' ' H ' ' A' ' 50' ' ' ASN . 4.6 tt -118.42 106.63 44.36 Favored Pre-proline 0 C--N 1.318 -0.788 0 CA-C-N 116.048 -0.524 . . . . 2.0299999999999998 110.896 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.772 ' HA ' ' OP1' ' D' ' 13' ' ' ' DC' . 34.8 Cg_exo -66.12 19.93 0.09 OUTLIER 'Trans proline' 0 CA--C 1.534 0.483 0 C-N-CA 123.037 2.491 . . . . 0.92000000000000004 113.786 178.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.457 ' H ' ' C ' ' A' ' 48' ' ' ILE . 22.4 m-80 59.84 -174.02 0.11 Allowed 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 121.369 0.604 . . . . 1.55 111.235 -179.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.6 ptm85 -123.97 -33.21 3.16 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 121.252 0.549 . . . . 3.5299999999999998 111.558 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 1.9 t -120.93 -0.04 10.16 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-N 116.171 -0.468 . . . . 1.6499999999999999 112.261 -178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -68.88 -31.07 69.74 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.09 0.472 . . . . 0.96999999999999997 110.495 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -86.64 6.89 28.84 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.742 -0.663 . . . . 1.6699999999999999 110.915 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.603 ' HB3' ' NZ ' ' A' ' 59' ' ' LYS . 40.6 mt-30 -118.88 32.66 6.02 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.207 -0.452 . . . . 2.1200000000000001 112.015 -179.18 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.474 HD11 " O4'" ' C' ' 11' ' ' ' DG' . 16.1 tp -115.36 -30.06 6.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.529 0.681 . . . . 1.4399999999999999 111.3 -178.6 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -117.53 23.34 11.82 Favored 'General case' 0 C--N 1.329 -0.287 0 O-C-N 122.046 -0.409 . . . . 1.8600000000000001 111.522 -179.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 153.6 151.39 5.73 Favored Glycine 0 N--CA 1.444 -0.814 0 N-CA-C 111.403 -0.679 . . . . 2.7599999999999998 111.403 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.603 ' NZ ' ' HB3' ' A' ' 55' ' ' GLN . 55.4 mmtt -109.97 -12.13 14.58 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.575 0.226 . . . . 7.1600000000000001 110.86 179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 17.3 tt0 53.6 -105.4 0.25 Allowed 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.626 -0.715 . . . . 6.4100000000000001 111.123 -178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 16.0 m -96.54 74.38 2.8 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-O 121.611 0.719 . . . . 6.96 109.346 179.656 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.0 tp . . . . . 0 C--N 1.327 -0.373 0 CA-C-N 114.337 -1.301 . . . . 8.8000000000000007 110.94 -179.23 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.674 ' SD ' ' HD2' ' B' ' 3' ' ' PRO . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.621 0.248 . . . . 7.5099999999999998 110.717 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.565 ' H ' ' HD2' ' B' ' 3' ' ' PRO . 0.3 OUTLIER -130.67 -55.64 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.541 0 CA-C-N 116.447 -0.342 . . . . 7.8300000000000001 111.888 -179.276 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.674 ' HD2' ' SD ' ' B' ' 1' ' ' MET . 94.8 Cg_endo -83.8 166.74 13.24 Favored 'Trans proline' 0 C--N 1.356 0.961 0 C-N-CA 122.266 1.977 . . . . 3.0499999999999998 113.737 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 5.8 p -97.31 167.73 1.71 Allowed 'Isoleucine or valine' 0 CA--C 1.557 1.25 0 CA-C-N 114.852 -1.067 . . . . 1.95 109.564 179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -154.54 161.74 41.49 Favored 'General case' 0 CA--C 1.503 -0.837 0 O-C-N 124.754 1.284 . . . . 1.74 108.62 -178.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.463 HD12 " H3'" ' C' ' 12' ' ' ' DC' . 0.3 OUTLIER -73.19 -24.33 60.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.237 0.541 . . . . 1.27 111.205 -178.685 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -63.5 -27.89 69.58 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.047 -0.524 . . . . 1.1499999999999999 110.874 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.402 ' HB3' HD13 ' B' ' 45' ' ' LEU . 43.5 m-20 -62.53 -59.17 5.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.987 -0.551 . . . . 1.8100000000000001 110.587 -179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 4.4 m -64.58 -33.61 64.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 115.846 -0.616 . . . . 1.6000000000000001 111.473 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.38 -49.35 71.95 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.166 -0.47 . . . . 1.22 111.324 -179.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -69.71 -35.15 74.81 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.757 0.28 . . . . 2.73 111.757 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 t80 -65.29 -44.36 88.21 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-O 121.29 0.567 . . . . 1.71 111.249 -179.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' B' ' 41' ' ' ALA . . . -84.61 -18.54 35.19 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.065 -0.516 . . . . 1.21 112.349 -179.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.41 35.11 75.26 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 119.902 -1.142 . . . . 1.53 111.009 -178.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 5.3 m -92.2 163.31 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.772 0.32 . . . . 1.79 111.193 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 3.0 t -89.83 33.75 0.85 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 116.258 -0.428 . . . . 2.1600000000000001 111.55 -178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.2 t80 67.46 -47.12 0.49 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.557 0.743 . . . . 2.1899999999999999 112.751 178.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.652 ' HG2' ' H41' ' C' ' 15' ' ' ' DC' . 0.0 OUTLIER -65.41 -24.78 67.3 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 123.26 0.624 . . . . 3.1699999999999999 111.844 179.686 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.73 -39.56 76.72 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 112.871 0.693 . . . . 1.4099999999999999 112.871 -178.636 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -84.21 -35.61 11.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 N-CA-C 112.817 0.673 . . . . 1.6200000000000001 112.817 -178.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 2.9 p -63.21 -34.17 77.07 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.759 0.314 . . . . 1.8600000000000001 111.683 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.41 ' HD3' ' OE1' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -75.75 -37.17 59.56 Favored 'General case' 0 C--O 1.219 -0.514 0 N-CA-C 112.535 0.568 . . . . 5.2400000000000002 112.535 -179.021 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.936 HG21 HG21 ' B' ' 38' ' ' VAL . 60.0 t -65.96 -34.45 70.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-O 121.353 0.597 . . . . 1.77 110.602 -179.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 19.0 t -81.22 -29.63 11.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 CA-C-N 116.056 -0.52 . . . . 1.97 110.375 178.654 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -95.83 -81.77 0.4 Allowed 'General case' 0 N--CA 1.463 0.206 0 N-CA-C 111.639 0.237 . . . . 3.75 111.639 -179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -154.1 88.84 1.26 Allowed 'General case' 0 C--O 1.237 0.413 0 CA-C-O 121.219 0.533 . . . . 4.8200000000000003 111.146 -179.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.27 110.79 2.72 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.694 -0.685 . . . . 2.5600000000000001 110.622 179.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 71.2 m -111.83 -45.61 3.32 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 116.206 -0.452 . . . . 3.7799999999999998 112.004 -178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -128.0 62.41 1.42 Allowed 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.551 -0.46 . . . . 2.6899999999999999 111.819 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 12.6 t -116.17 116.27 51.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 N-CA-C 108.19 -1.041 . . . . 1.52 108.19 178.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.403 ' O ' ' HB2' ' B' ' 35' ' ' ARG . 24.8 p -61.11 144.31 53.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.499 0.19 . . . . 1.8500000000000001 111.04 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.8 -33.21 34.63 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 116.305 -0.407 . . . . 1.48 111.414 179.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.0 -55.04 40.09 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-N 116.167 -0.469 . . . . 3.6800000000000002 111.499 -179.231 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -82.09 -14.68 55.44 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.3 0.571 . . . . 1.8100000000000001 110.996 -179.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.46 ' O ' HG22 ' B' ' 38' ' ' VAL . 0.0 OUTLIER -67.48 -23.83 65.53 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.556 -0.747 . . . . 3.48 111.733 -179.589 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' B' ' 37' ' ' LYS . 7.2 pt-20 -88.42 -31.83 18.62 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-O 121.137 0.494 . . . . 1.96 110.29 179.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.41 ' N ' ' HG3' ' B' ' 36' ' ' GLU . 8.2 mmmt -61.25 -27.69 68.63 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 115.613 -0.721 . . . . 2.8199999999999998 112.061 -179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.936 HG21 HG21 ' B' ' 23' ' ' VAL . 29.5 m -73.12 -32.29 38.25 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.199 0 CA-C-O 120.86 0.362 . . . . 1.4299999999999999 111.623 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 61.3 mm-40 -63.37 -46.28 87.25 Favored 'General case' 0 N--CA 1.448 -0.565 0 CA-C-N 116.34 -0.391 . . . . 2.27 110.883 -178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.19 -40.5 77.5 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.119 0.485 . . . . 1.26 110.764 179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' B' ' 13' ' ' ALA . . . -69.15 -56.48 7.52 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.931 -0.577 . . . . 0.80000000000000004 112.508 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.41 ' HB2' ' HE3' ' B' ' 42' ' ' MET . 55.9 mtm -61.76 -29.76 70.34 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.82 0.674 . . . . 1.52 112.82 -177.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -87.04 -38.62 16.39 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 112.516 0.561 . . . . 1.0600000000000001 112.516 -178.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -66.32 -48.6 69.76 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.899 0.38 . . . . 2.1899999999999999 111.883 -178.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.402 HD13 ' HB3' ' B' ' 8' ' ' ASP . 96.7 mt -95.74 -2.84 47.0 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.426 -0.352 . . . . 1.28 111.709 -178.211 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 31.0 t-20 55.26 67.62 0.99 Allowed 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.144 -0.48 . . . . 1.8400000000000001 111.77 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 31.1 t80 -65.23 120.56 12.96 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-O 121.254 0.549 . . . . 1.28 111.369 179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 46.2 mt -117.32 121.9 31.7 Favored Pre-proline 0 C--N 1.322 -0.601 0 N-CA-C 108.625 -0.88 . . . . 1.3899999999999999 108.625 178.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -56.01 96.54 0.06 OUTLIER 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.812 2.341 . . . . 1.3799999999999999 111.868 179.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 21.9 t30 -81.51 118.32 22.64 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.522 -0.763 . . . . 2.0800000000000001 111.406 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . 0.414 ' HE ' ' HB3' ' B' ' 51' ' ' ARG . 55.3 mtp180 -81.05 104.25 11.41 Favored 'General case' 0 N--CA 1.441 -0.89 0 CA-C-O 122.008 0.909 . . . . 3.4399999999999999 110.457 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 8.8 t -167.11 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.084 -1.416 . . . . 1.8999999999999999 108.032 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.52 5.27 28.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.144 -0.48 . . . . 1.21 110.5 179.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 96.5 mt-30 -88.05 -46.58 9.2 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 121.951 0.881 . . . . 1.74 109.055 -179.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.46 ' HG2' ' O ' ' B' ' 60' ' ' GLN . 42.3 mt-30 -71.04 -39.68 72.15 Favored 'General case' 0 N--CA 1.438 -1.073 0 CA-C-N 114.591 -1.186 . . . . 3.2799999999999998 109.513 179.033 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.601 ' HG ' ' O2 ' ' D' ' 11' ' ' ' DC' . 13.6 tp -63.32 -27.28 69.21 Favored 'General case' 0 C--O 1.218 -0.595 0 CA-C-N 115.004 -0.998 . . . . 1.6699999999999999 110.875 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.25 -9.65 58.46 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 112.047 0.388 . . . . 2.1299999999999999 112.047 -179.048 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 135.82 -49.97 0.87 Allowed Glycine 0 N--CA 1.446 -0.669 0 C-N-CA 120.867 -0.682 . . . . 2.1699999999999999 112.662 178.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.3 mtmp? -81.32 88.72 6.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.07 0.462 . . . . 6.1399999999999997 109.83 -179.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.46 ' O ' ' HG2' ' B' ' 55' ' ' GLN . 49.9 mt-30 -62.12 -74.09 0.09 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.051 -0.977 . . . . 6.6900000000000004 111.362 -179.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 68.3 m -152.25 23.86 0.63 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.191 -0.459 . . . . 6.6100000000000003 109.893 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' B' ' 62' ' ' LEU . 41.4 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.557 -0.735 . . . . 8.7799999999999994 111.052 -178.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' -1' ' ' ' DC' . . . . . 0.956 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.769 0 C3'-C2'-C1' 99.246 -2.467 . . . . 5.3099999999999996 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.56 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.454 0.752 0 C3'-C2'-C1' 99.131 -2.549 . . . . 4.6799999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.593 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.021 0 O4'-C1'-C2' 103.877 -2.021 . . . . 3.3599999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.593 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.899 0 C3'-C2'-C1' 98.948 -2.68 . . . . 2.1800000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.775 0 C3'-C2'-C1' 99.61 -2.207 . . . . 1.5600000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.436 H2'' ' C7 ' ' C' ' 6' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.023 0 C3'-C2'-C1' 99.63 -2.193 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.436 ' C7 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.05 0 C3'-C2'-C1' 99.801 -2.07 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.419 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.766 0 C3'-C2'-C1' 99.551 -2.249 . . . . 1.3200000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.419 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.965 0 C3'-C2'-C1' 99.605 -2.21 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.091 0 C3'-C2'-C1' 99.343 -2.398 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.561 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.937 0 O4'-C1'-C2' 103.895 -2.005 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.561 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.798 0 O4'-C1'-C2' 103.767 -2.121 . . . . 1.0800000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.463 " H3'" HD12 ' B' ' 6' ' ' LEU . . . . . . . . 0 O5'--C5' 1.429 -0.674 0 O4'-C1'-C2' 103.675 -2.204 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.014 0 C3'-C2'-C1' 99.585 -2.225 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.484 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.665 0 C3'-C2'-C1' 99.903 -1.998 . . . . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . 0.652 ' H41' ' HG2' ' B' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.51 -0.753 0 O4'-C1'-C2' 103.852 -2.043 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . 0.616 ' C8 ' H2'' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.51 -0.753 0 C3'-C2'-C1' 99.738 -2.115 . . . . 2.5499999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C3'-C2'-C1' 99.835 -2.046 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.45 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -1.011 0 C3'-C2'-C1' 99.449 -2.322 . . . . 2.4500000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.45 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 P--O3' 1.596 -0.924 0 C3'-C2'-C1' 99.275 -2.446 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.474 H2'' ' C7 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.977 0 C3'-C2'-C1' 98.975 -2.661 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.66 H2'' ' C6 ' ' C' ' 22' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 98.894 -2.718 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.66 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 C3'-C2'-C1' 99.29 -2.436 . . . . 3.4500000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.643 0 C3'-C2'-C1' 100.621 -1.485 . . . . 4.1699999999999999 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.51 " H1'" ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 C3'-C2'-C1' 99.372 -2.377 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.51 ' C8 ' " H1'" ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.407 -0.986 0 C4'-C3'-C2' 104.611 1.411 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.537 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.932 0 C3'-C2'-C1' 99.746 -2.11 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.537 ' C7 ' H2'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.727 0 C3'-C2'-C1' 101.125 -1.125 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.453 0.636 0 O4'-C1'-N19 108.876 1.345 . . . . 1.8100000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.882 0 C4'-C3'-C2' 104.031 0.831 . . . . 1.8400000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.888 0 C3'-C2'-C1' 100.145 -1.825 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.511 " H2'" ' C5 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 C3'-C2'-C1' 105.226 1.804 . . . . 2.2799999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.511 ' C5 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.96 0 C3'-C2'-C1' 102.059 -0.458 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.924 0 C3'-C2'-C1' 99.835 -2.047 . . . . 2.1400000000000001 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.601 ' O2 ' ' HG ' ' B' ' 56' ' ' LEU . . . . . . . . 0 O4'--C4' 1.439 -0.657 0 C3'-C2'-C1' 105.625 2.09 . . . . 2.1600000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.484 " C5'" H2'' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.827 0 C4'-C3'-C2' 105.127 1.927 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.772 ' OP1' ' HA ' ' A' ' 49' ' ' PRO . . . . . . . . 0 O5'--C5' 1.426 -0.896 0 C1'-O4'-C4' 107.383 -1.655 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.79 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -1.002 0 C4'-C3'-C2' 101.592 -1.608 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.79 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C1'-O4'-C4' 110.387 0.491 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.519 H2'' " O5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.88 0 C3'-C2'-C1' 105.437 1.955 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.519 " O5'" H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.522 -0.6 0 O4'-C4'-C3' 104.156 -1.444 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' ' DT' . . . . . 0.477 ' C6 ' " H2'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.56 0 C3'-C2'-C1' 102.098 -0.43 . . . . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.569 H2'' " O5'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.715 0 C4'-C3'-C2' 104.177 0.977 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ' DC' . . . . . 0.569 " O5'" H2'' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.638 0 O4'-C1'-C2' 107.167 0.97 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ' DC' . . . . . 0.401 H2'' ' C8 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.412 -0.588 0 O4'-C1'-C2' 104.672 -1.298 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' ' DG' . . . . . 0.956 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.431 -0.554 0 C1'-O4'-C4' 110.409 0.507 . . . . 3.9500000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.9 mtt . . . . . 0 N--CA 1.491 1.587 0 N-CA-C 110.472 -0.196 . . . . 5.7999999999999998 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 9.7 mptt -86.74 154.21 55.72 Favored Pre-proline 0 C--N 1.324 -0.54 0 N-CA-C 109.338 -0.616 . . . . 5.2400000000000002 109.338 179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.2 Cg_exo -61.88 89.79 0.11 Allowed 'Trans proline' 0 C--N 1.349 0.576 0 C-N-CA 122.457 2.105 . . . . 3.9199999999999999 111.063 178.428 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 6.4 m -94.77 167.31 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.533 0 CA-C-N 115.745 -0.661 . . . . 1.8400000000000001 109.632 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.552 ' HA ' ' CD1' ' A' ' 47' ' ' TYR . 0.7 OUTLIER -152.09 -168.41 3.06 Favored 'General case' 0 C--N 1.311 -1.074 0 O-C-N 124.245 0.966 . . . . 2.0899999999999999 110.389 -179.94 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.688 HD12 ' HD1' ' A' ' 7' ' ' TYR . 2.0 pp -55.3 -8.1 0.29 Allowed 'General case' 0 N--CA 1.473 0.708 0 N-CA-C 113.899 1.074 . . . . 1.21 113.899 -179.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.688 ' HD1' HD12 ' A' ' 6' ' ' LEU . 2.5 m-30 -81.64 -46.96 13.61 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.465 -0.569 . . . . 1.8600000000000001 109.465 178.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.6 -50.25 7.85 Favored 'General case' 0 C--O 1.237 0.427 0 CA-C-N 115.287 -0.869 . . . . 2.1200000000000001 111.978 -178.55 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 58.8 t -54.76 -34.36 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.383 0 CA-C-N 115.901 -0.59 . . . . 0.92000000000000004 111.201 -179.131 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -59.75 -56.85 16.67 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.158 -0.474 . . . . 1.02 110.856 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -58.76 -39.43 80.96 Favored 'General case' 0 C--N 1.341 0.213 0 N-CA-C 110.238 -0.282 . . . . 2.4500000000000002 110.238 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.642 ' CD2' HD11 ' A' ' 45' ' ' LEU . 88.4 t80 -57.65 -54.96 41.0 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-N 116.11 -0.495 . . . . 1.78 110.387 178.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -71.1 -18.68 62.52 Favored 'General case' 0 C--O 1.236 0.363 0 N-CA-C 111.98 0.363 . . . . 1.1100000000000001 111.98 -179.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 93.95 22.72 24.78 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 119.661 -1.257 . . . . 1.1699999999999999 112.435 179.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 11.3 m -132.07 -168.38 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-O 120.84 0.353 . . . . 1.0800000000000001 110.777 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 74.1 m -109.97 -179.9 3.92 Favored 'General case' 0 N--CA 1.446 -0.643 0 N-CA-C 109.464 -0.569 . . . . 1.9199999999999999 109.464 178.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.51 ' CB ' HD13 ' A' ' 6' ' ' LEU . 19.9 p90 -79.16 -6.78 57.33 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 112.657 0.614 . . . . 0.96999999999999997 112.657 -178.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 36.7 tp60 -75.98 -34.67 59.78 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-O 121.392 0.615 . . . . 2.23 109.477 179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.481 ' O ' HG23 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -68.63 -42.8 77.52 Favored 'General case' 0 N--CA 1.444 -0.771 0 CA-C-N 115.605 -0.725 . . . . 1.21 109.822 179.327 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 57.8 t -62.79 -41.83 93.99 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.384 0 CA-C-N 115.983 -0.553 . . . . 1.5900000000000001 109.892 179.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.1 t -55.76 -31.27 62.43 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.955 -0.566 . . . . 1.6000000000000001 110.6 178.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 44.7 mtp180 -80.97 -32.52 34.38 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 120.654 -0.419 . . . . 4.2699999999999996 111.02 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.494 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 53.2 t -69.49 -35.8 68.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.851 0.358 . . . . 1.76 111.16 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.7 m -80.41 -20.3 11.76 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.042 0 CA-C-O 121.282 0.563 . . . . 1.8700000000000001 111.448 -178.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -92.93 -56.12 3.1 Favored 'General case' 0 C--N 1.318 -0.785 0 CA-C-N 115.349 -0.842 . . . . 1.6699999999999999 112.479 -178.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -119.41 -47.84 2.43 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.497 0.554 . . . . 3.3399999999999999 112.497 -178.2 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . 62.56 27.94 16.46 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.516 0.674 . . . . 1.8999999999999999 110.844 -178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 3.2 p -88.13 -79.34 0.3 Allowed 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.768 -0.651 . . . . 2.1400000000000001 111.479 -179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.45 88.19 6.28 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.934 0.397 . . . . 3.8900000000000001 111.116 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.477 ' C ' ' H ' ' A' ' 32' ' ' ALA . 57.0 t -124.03 83.08 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.959 -0.564 . . . . 1.55 110.223 179.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 73.7 m 64.58 -21.81 0.07 Allowed 'General case' 0 CA--C 1.544 0.736 0 N-CA-C 113.759 1.022 . . . . 1.78 113.759 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 74.07 -5.5 2.04 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.993 0.917 . . . . 1.53 110.49 -178.24 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -128.31 -35.82 1.96 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.672 -0.695 . . . . 4.2000000000000002 111.182 -179.039 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.48 27.55 7.79 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.238 0.542 . . . . 1.48 111.774 179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.48 -48.32 14.12 Favored 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.704 -0.68 . . . . 3.46 111.201 -177.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.08 -19.79 39.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 116.441 -0.345 . . . . 2.6400000000000001 110.261 -179.077 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.09 -46.44 89.1 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.407 0.521 . . . . 3.54 112.407 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 30.2 t -57.23 -37.29 55.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.926 0.393 . . . . 1.8400000000000001 110.979 -179.196 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -57.57 -42.38 82.98 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-O 120.985 0.422 . . . . 1.8400000000000001 111.26 -179.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -77.12 -32.91 56.8 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 115.299 -0.864 . . . . 1.25 111.269 -179.15 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.97 -40.65 87.49 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.237 -0.438 . . . . 1.0900000000000001 111.099 -179.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 71.9 mtm -61.01 -41.42 96.5 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-O 121.229 0.538 . . . . 1.4399999999999999 110.727 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.21 -29.34 62.74 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.858 -0.61 . . . . 1.3899999999999999 111.644 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.85 -43.96 61.95 Favored 'General case' 0 C--N 1.32 -0.686 0 N-CA-C 112.955 0.724 . . . . 2.0800000000000001 112.955 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.642 HD11 ' CD2' ' A' ' 12' ' ' TYR . 16.4 mt -87.47 -15.83 36.5 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.999 0.428 . . . . 1.1899999999999999 110.98 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 73.74 93.81 0.08 Allowed 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.065 -1.087 . . . . 2.04 108.065 -177.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.552 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 4.5 t80 -137.92 139.13 39.63 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 114.844 -1.071 . . . . 1.77 110.802 -178.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.444 ' C ' ' H ' ' A' ' 50' ' ' ASN . 36.8 mm -125.16 114.67 26.06 Favored Pre-proline 0 N--CA 1.445 -0.687 0 CA-C-N 115.852 -0.613 . . . . 2.0299999999999998 109.922 179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_exo -64.07 26.03 0.07 OUTLIER 'Trans proline' 0 N--CA 1.483 0.858 0 C-N-CA 123.787 2.992 . . . . 0.92000000000000004 114.424 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.444 ' H ' ' C ' ' A' ' 48' ' ' ILE . 9.3 m-20 57.89 169.01 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 113.689 0.996 . . . . 1.55 113.689 178.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.8 mtp180 -113.72 -22.17 10.35 Favored 'General case' 0 N--CA 1.443 -0.8 0 CA-C-O 122.652 1.215 . . . . 3.5299999999999998 108.051 176.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.489 ' SG ' ' N ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -128.96 117.51 21.07 Favored 'General case' 0 N--CA 1.428 -1.547 0 CA-C-N 113.566 -1.652 . . . . 1.6499999999999999 107.136 178.285 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . 178.68 -52.7 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.693 -0.685 . . . . 0.96999999999999997 111.661 -177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.409 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 92.8 mt-30 -65.16 -14.65 61.11 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 115.228 -0.896 . . . . 1.6699999999999999 111.788 -179.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.446 ' HB2' ' SG ' ' B' ' 52' ' ' CYS . 19.6 mp0 -91.9 17.7 8.84 Favored 'General case' 0 N--CA 1.448 -0.541 0 CA-C-O 121.124 0.488 . . . . 2.1200000000000001 110.826 -178.599 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.6 tp -131.28 11.06 4.94 Favored 'General case' 0 C--N 1.316 -0.889 0 CA-C-O 121.091 0.472 . . . . 1.4399999999999999 110.973 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -145.45 141.48 28.41 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.467 -0.333 . . . . 1.8600000000000001 110.454 179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 154.73 85.2 0.05 OUTLIER Glycine 0 CA--C 1.505 -0.58 0 C-N-CA 120.558 -0.829 . . . . 2.7599999999999998 112.236 179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -128.66 136.38 50.57 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.576 -0.528 . . . . 7.1600000000000001 109.576 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.435 HE21 ' HB2' ' A' ' 60' ' ' GLN . 0.9 OUTLIER -117.86 142.29 47.48 Favored 'General case' 0 C--N 1.312 -1.056 0 CA-C-N 116.333 -0.394 . . . . 6.4100000000000001 109.99 179.523 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -67.21 -47.64 70.24 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.011 0.434 . . . . 6.96 110.7 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 tp . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 115.774 -0.648 . . . . 8.8000000000000007 110.604 179.361 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mtp . . . . . 0 C--O 1.236 0.353 0 CA-C-O 120.938 0.399 . . . . 7.5099999999999998 110.055 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.569 ' HG2' HD12 ' B' ' 48' ' ' ILE . 46.3 tttp -170.59 -55.36 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 115.164 -0.926 . . . . 7.8300000000000001 110.66 179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.473 ' HD3' ' HB3' ' B' ' 2' ' ' LYS . 65.6 Cg_endo -75.04 168.26 25.21 Favored 'Trans proline' 0 C--N 1.352 0.747 0 C-N-CA 121.695 1.596 . . . . 3.0499999999999998 111.121 177.578 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 3.5 m -141.57 142.9 28.17 Favored 'Isoleucine or valine' 0 N--CA 1.439 -1.017 0 CA-C-N 116.168 -0.469 . . . . 1.95 110.589 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.537 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 39.3 p -65.71 162.29 18.89 Favored 'General case' 0 N--CA 1.438 -1.031 0 CA-C-N 115.517 -0.765 . . . . 1.74 111.769 179.243 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 25.4 mt -70.61 -14.2 62.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.172 -0.467 . . . . 1.27 111.573 179.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -71.65 -37.36 70.83 Favored 'General case' 0 CA--C 1.535 0.366 0 N-CA-C 108.017 -1.105 . . . . 1.1499999999999999 108.017 178.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -60.92 -50.64 72.61 Favored 'General case' 0 CA--C 1.512 -0.504 0 CA-C-N 115.12 -0.945 . . . . 1.8100000000000001 109.171 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.9 t -60.95 -50.7 79.47 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-N 114.423 -1.262 . . . . 1.6000000000000001 111.33 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.419 ' HA ' HG11 ' B' ' 20' ' ' VAL . . . -55.35 -48.43 74.24 Favored 'General case' 0 C--N 1.333 -0.143 0 O-C-N 123.069 0.231 . . . . 1.22 111.016 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -65.61 -41.63 92.51 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 121.579 0.704 . . . . 2.73 110.917 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 15.2 t80 -67.38 -32.94 74.2 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.508 -0.769 . . . . 1.71 112.562 -178.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.85 -17.96 22.5 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.559 -0.291 . . . . 1.21 111.547 -178.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 75.88 34.85 46.85 Favored Glycine 0 C--N 1.344 0.995 0 C-N-CA 120.758 -0.734 . . . . 1.53 112.346 179.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.91 -168.28 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.516 0.158 . . . . 1.79 110.893 -178.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 18.2 p -92.95 169.22 10.6 Favored 'General case' 0 N--CA 1.448 -0.525 0 CA-C-O 121.699 0.761 . . . . 2.1600000000000001 112.546 -178.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -71.08 -16.64 62.59 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.285 -1.325 . . . . 2.1899999999999999 110.994 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.534 ' O ' ' HG2' ' B' ' 22' ' ' ARG . 0.2 OUTLIER -87.38 -54.78 4.11 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.23 0.538 . . . . 3.1699999999999999 110.402 179.524 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -56.14 -28.12 56.75 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 113.305 0.854 . . . . 1.4099999999999999 113.305 -179.051 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.442 ' O ' HG23 ' B' ' 24' ' ' VAL . 10.7 m -78.34 -32.48 16.78 Favored 'Isoleucine or valine' 0 CA--C 1.509 -0.611 0 N-CA-C 112.487 0.551 . . . . 1.6200000000000001 112.487 -178.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 29.3 t -81.21 -36.27 30.27 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.335 0.588 . . . . 1.8600000000000001 111.679 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.534 ' HG2' ' O ' ' B' ' 18' ' ' GLN . 27.2 mmm180 -72.41 -35.75 68.47 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.503 0.557 . . . . 5.2400000000000002 112.503 -178.086 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 p -71.62 -17.89 19.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 O-C-N 123.606 0.566 . . . . 1.77 112.428 -177.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 20' ' ' VAL . 92.5 t -57.39 -63.06 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 110.274 -0.269 . . . . 1.97 110.274 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 3.9 t30 -173.49 35.88 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.704 -0.48 . . . . 3.75 109.704 178.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 -119.35 -27.63 5.56 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.798 -0.361 . . . . 4.8200000000000003 111.578 -178.23 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . 0.471 ' HB3' ' HB3' ' B' ' 22' ' ' ARG . . . -146.74 145.41 29.94 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.095 -0.502 . . . . 2.5600000000000001 111.276 -179.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -104.53 -4.81 22.18 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.055 0.455 . . . . 3.7799999999999998 110.029 178.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -71.98 40.48 0.08 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.177 -0.92 . . . . 2.6899999999999999 112.523 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 10.8 t -120.37 138.0 52.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.968 0.413 . . . . 1.52 110.266 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 22.9 t -62.55 146.94 50.52 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 116.147 -0.478 . . . . 1.8500000000000001 110.043 179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.68 88.45 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.065 -0.516 . . . . 1.48 111.545 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.08 -26.56 66.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.809 -0.632 . . . . 3.6800000000000002 110.786 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 4.3 m -87.31 -34.14 18.97 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.356 0.598 . . . . 1.8100000000000001 110.476 178.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.447 ' O ' ' HG3' ' B' ' 39' ' ' GLU . 0.0 OUTLIER -70.85 -28.15 64.37 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-N 115.678 -0.692 . . . . 3.48 111.852 -177.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -70.83 -35.19 72.36 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.139 0.495 . . . . 1.96 110.912 -178.078 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 59.5 mttt -70.78 -44.78 65.98 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.566 -0.743 . . . . 2.8199999999999998 110.997 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 38.6 t -67.95 -38.9 80.74 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 CA-C-N 116.11 -0.495 . . . . 1.4299999999999999 111.308 -179.219 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' B' ' 35' ' ' ARG . 7.5 mt-10 -66.08 -39.42 90.01 Favored 'General case' 0 CA--C 1.517 -0.3 0 N-CA-C 109.646 -0.501 . . . . 2.27 109.646 179.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.65 -37.18 80.68 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 120.944 0.402 . . . . 1.26 110.318 177.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.18 -46.99 66.13 Favored 'General case' 0 CA--C 1.511 -0.553 0 CA-C-O 120.846 0.355 . . . . 0.80000000000000004 111.658 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . 0.528 ' HB2' ' HB3' ' B' ' 47' ' ' TYR . 12.9 ptp -65.82 -30.54 71.18 Favored 'General case' 0 C--N 1.314 -0.945 0 C-N-CA 120.636 -0.425 . . . . 1.52 111.133 -179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.67 -37.89 34.87 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-O 121.234 0.54 . . . . 1.0600000000000001 111.911 -178.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -73.92 -41.28 62.31 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.553 -0.749 . . . . 2.1899999999999999 110.771 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 77.6 mt -92.34 -1.03 57.32 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.833 -0.621 . . . . 1.28 112.519 -178.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 57.07 61.88 2.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.32 -0.4 . . . . 1.8400000000000001 111.779 178.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.528 ' HB3' ' HB2' ' B' ' 42' ' ' MET . 26.0 t80 -69.94 106.89 3.35 Favored 'General case' 0 CA--C 1.511 -0.52 0 CA-C-O 120.987 0.422 . . . . 1.28 110.588 179.206 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . 0.569 HD12 ' HG2' ' B' ' 2' ' ' LYS . 68.8 mt -109.14 131.96 21.5 Favored Pre-proline 0 C--N 1.315 -0.923 0 N-CA-C 107.641 -1.244 . . . . 1.3899999999999999 107.641 176.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -43.34 101.01 0.04 OUTLIER 'Trans proline' 0 C--N 1.355 0.873 0 C-N-CA 122.771 2.314 . . . . 1.3799999999999999 111.97 -179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 t30 -71.7 119.89 16.5 Favored 'General case' 0 N--CA 1.455 -0.218 0 CA-C-N 114.782 -1.099 . . . . 2.0800000000000001 111.675 -178.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 27.7 mmt180 -84.74 -179.13 7.04 Favored 'General case' 0 C--N 1.317 -0.844 0 N-CA-C 108.133 -1.062 . . . . 3.4399999999999999 108.133 179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.489 ' N ' ' SG ' ' A' ' 52' ' ' CYS . 61.8 m 60.38 46.48 9.89 Favored 'General case' 0 CA--C 1.51 -0.588 0 CA-C-O 121.403 0.62 . . . . 1.8999999999999999 109.562 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 171.25 -25.19 0.0 OUTLIER 'General case' 0 N--CA 1.443 -0.813 0 CA-C-N 113.862 -1.517 . . . . 1.21 109.465 -178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -90.05 -35.51 15.44 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 125.034 1.459 . . . . 1.74 109.215 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.504 ' HB2' ' HB2' ' B' ' 61' ' ' SER . 61.0 tt0 -85.47 -16.41 39.71 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 108.734 -0.839 . . . . 3.2799999999999998 108.734 178.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.716 HD23 ' N2 ' ' C' ' 11' ' ' ' DG' . 9.5 tp -90.67 -35.31 15.02 Favored 'General case' 0 C--N 1.314 -0.954 0 CA-C-N 114.584 -1.189 . . . . 1.6699999999999999 110.334 -179.232 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -73.66 -27.03 61.03 Favored 'General case' 0 CA--C 1.509 -0.609 0 CA-C-N 116.025 -0.534 . . . . 2.1299999999999999 110.538 -179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . -165.24 -115.41 0.32 Allowed Glycine 0 N--CA 1.438 -1.218 0 CA-C-N 115.475 -0.784 . . . . 2.1699999999999999 111.551 178.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 50.0 mtpt -146.2 59.64 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.766 0.283 . . . . 6.1399999999999997 111.003 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.431 ' NE2' H5'' ' C' ' 13' ' ' ' DA' . 14.7 mt-30 -105.76 17.51 23.62 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.239 -0.584 . . . . 6.6900000000000004 112.152 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . 0.504 ' HB2' ' HB2' ' B' ' 55' ' ' GLN . 0.7 OUTLIER -161.89 165.29 27.85 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 109.694 -0.484 . . . . 6.6100000000000003 109.694 179.264 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.484 ' HA ' ' NE2' ' B' ' 55' ' ' GLN . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.094 0 CA-C-O 117.825 -1.084 . . . . 8.7799999999999994 110.554 -179.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' -1' ' ' ' DC' . . . . . 0.958 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.083 0 C3'-C2'-C1' 99.554 -2.247 . . . . 5.3099999999999996 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.446 " H1'" ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.894 0 O4'-C1'-C2' 103.742 -2.143 . . . . 4.6799999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.715 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.702 0 O4'-C1'-C2' 103.824 -2.069 . . . . 3.3599999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.715 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 99.1 -2.571 . . . . 2.1800000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.514 H2'' ' C8 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.429 -0.657 0 O4'-C1'-C2' 103.662 -2.216 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.514 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.9 0 O4'-C1'-C2' 103.735 -2.15 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.872 0 C3'-C2'-C1' 99.242 -2.47 . . . . 1.5600000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.073 0 C3'-C2'-C1' 99.191 -2.506 . . . . 1.3200000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.566 -2.239 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.953 0 C3'-C2'-C1' 99.654 -2.176 . . . . 1.54 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.526 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 O4'-C1'-C2' 103.91 -1.991 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.716 ' N2 ' HD23 ' B' ' 56' ' ' LEU . . . . . . . . 0 P--O3' 1.621 1.158 0 C3'-C2'-C1' 99.554 -2.247 . . . . 1.0800000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.537 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.426 -0.857 0 C3'-C2'-C1' 99.159 -2.529 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.45 ' C8 ' H2'' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.5 -1.512 0 C3'-C2'-C1' 99.193 -2.505 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.576 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.454 0.73 0 O4'-C1'-C2' 103.783 -2.106 . . . . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . 0.576 ' C5 ' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.057 0 C3'-C2'-C1' 99.64 -2.186 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 O4'-C1'-C2' 104.097 -1.821 . . . . 2.5499999999999998 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.448 H2'' ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.882 0 C3'-C2'-C1' 99.173 -2.519 . . . . 2.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.533 H2'' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.12 0 C3'-C2'-C1' 99.198 -2.501 . . . . 2.4500000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.533 ' C8 ' H2'' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.843 0 C3'-C2'-C1' 99.056 -2.603 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.51 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.424 -0.977 0 C3'-C2'-C1' 99.149 -2.536 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.478 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -1.024 0 C3'-C2'-C1' 99.474 -2.304 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.474 ' C6 ' H2'' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.136 0 C3'-C2'-C1' 99.563 -2.241 . . . . 3.4500000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.921 0 C3'-C2'-C1' 101.334 -0.976 . . . . 4.1699999999999999 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.427 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.422 -1.124 0 C3'-C2'-C1' 100.785 -1.368 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.5 H2'' ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.767 0 C4'-C3'-C2' 103.721 0.521 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.5 ' C6 ' H2'' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.712 0 C3'-C2'-C1' 99.467 -2.309 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.442 H2'' " O5'" ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O4'--C1' 1.411 -0.72 0 C1'-O4'-C4' 107.451 -1.606 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.442 " O5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.648 0 O4'-C1'-N19 108.539 0.924 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ' DC' . . . . . 0.539 H2'' " O5'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.428 -0.759 0 N19-C1'-C2' 115.411 0.757 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . 0.539 " O5'" H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.634 0 C3'-C2'-C1' 101.345 -0.968 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.595 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.93 0 C1'-O4'-C4' 111.315 1.154 . . . . 2.2799999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.595 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.856 0 N19-C1'-C2' 115.62 0.887 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.597 -0.837 0 O4'-C4'-C3' 106.386 0.786 . . . . 2.1400000000000001 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.615 " H5'" ' C6 ' ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.937 0 C3'-C2'-C1' 105.166 1.761 . . . . 2.1600000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.599 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.756 0 C4'-C3'-C2' 104.55 1.35 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.575 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 C3'-C2'-C1' 105.485 1.989 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.575 ' C6 ' " H2'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.86 0 C3'-C2'-C1' 104.971 1.622 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.469 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.76 0 C4'-C3'-C2' 104.268 1.068 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.515 H2'' ' C6 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C1'-O4'-C4' 110.412 0.509 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.654 " H2'" ' C6 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.438 -0.709 0 C3'-C2'-C1' 105.017 1.655 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' ' DT' . . . . . 0.654 ' C6 ' " H2'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.615 0 C4'-C3'-C2' 104.172 0.972 . . . . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.629 ' C8 ' " C2'" ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.855 0 N19-C1'-C2' 115.659 0.912 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ' DC' . . . . . 0.662 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.532 0.424 0 N19-C1'-C2' 115.664 0.915 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ' DC' . . . . . 0.662 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.795 0 C3'-C2'-C1' 104.774 1.481 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' ' DG' . . . . . 0.958 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.537 0.867 0 O4'-C1'-C2' 105.025 -0.977 . . . . 3.9500000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.4 tmt? . . . . . 0 N--CA 1.477 0.902 0 CA-C-O 121.245 0.545 . . . . 5.7999999999999998 111.289 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.442 ' O ' HG13 ' A' ' 4' ' ' VAL . 5.6 tmtt? -129.15 136.49 29.25 Favored Pre-proline 0 C--N 1.323 -0.577 0 N-CA-C 108.312 -0.995 . . . . 5.2400000000000002 108.312 179.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -48.38 94.99 0.03 OUTLIER 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 123.41 2.74 . . . . 3.9199999999999999 112.669 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.442 HG13 ' O ' ' A' ' 2' ' ' LYS . 17.1 m -86.97 179.71 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.422 -1.874 0 CA-C-N 115.274 -0.875 . . . . 1.8400000000000001 108.888 178.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.527 ' OG1' HD22 ' A' ' 6' ' ' LEU . 2.5 t -108.05 162.14 14.32 Favored 'General case' 0 C--N 1.313 -1.009 0 CA-C-N 115.94 -0.573 . . . . 2.0899999999999999 110.704 -179.745 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 ' OG1' ' A' ' 5' ' ' THR . 0.0 OUTLIER -54.95 -12.99 0.94 Allowed 'General case' 0 CA--C 1.541 0.597 0 N-CA-C 112.735 0.643 . . . . 1.21 112.735 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -67.34 -31.96 72.58 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-O 121.511 0.672 . . . . 1.8600000000000001 110.034 177.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.8 t70 -76.48 -51.16 12.29 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-O 121.598 0.713 . . . . 2.1200000000000001 110.823 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 10.7 t -61.56 -36.68 74.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 114.974 -1.012 . . . . 0.92000000000000004 110.984 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.436 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.44 -44.09 89.02 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 1.02 111.351 179.729 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.37 -41.76 97.61 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 121.058 0.456 . . . . 2.4500000000000002 110.372 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -65.24 -32.7 74.5 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.268 -0.878 . . . . 1.78 110.784 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.13 -18.11 47.58 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 120.829 0.347 . . . . 1.1100000000000001 111.927 179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 84.74 22.58 52.88 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 121.104 -0.57 . . . . 1.1699999999999999 113.295 -178.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.24 -173.21 0.69 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.409 0 CA-C-N 117.129 0.465 . . . . 1.0800000000000001 110.845 -179.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 4.6 m -85.61 160.17 19.68 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.041 0.448 . . . . 1.9199999999999999 110.971 178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.436 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 32.6 p90 -62.17 -18.57 61.38 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.555 0.576 . . . . 0.96999999999999997 112.555 -178.593 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.479 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 41.5 tp60 -70.57 -22.97 62.52 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 109.534 -0.543 . . . . 2.23 109.534 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.622 ' HA ' ' NH1' ' A' ' 22' ' ' ARG . 88.2 m -77.88 -32.78 52.07 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.939 0.4 . . . . 1.21 110.017 178.657 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 t -77.55 -35.87 22.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 N-CA-C 108.753 -0.832 . . . . 1.5900000000000001 108.753 178.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 46.6 t -75.26 -16.38 60.45 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.854 0.835 . . . . 1.6000000000000001 109.332 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.622 ' NH1' ' HA ' ' A' ' 19' ' ' THR . 0.8 OUTLIER -74.04 -42.56 60.08 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.792 -0.64 . . . . 4.2699999999999996 112.623 -179.114 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.53 ' HA ' ' HA ' ' A' ' 27' ' ' ALA . 25.4 m -73.23 -17.7 17.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 N-CA-C 113.176 0.806 . . . . 1.76 113.176 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 17.0 m -87.69 -36.84 10.09 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.161 0.505 . . . . 1.8700000000000001 111.461 -179.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 54.9 m-20 -95.32 -32.87 12.77 Favored 'General case' 0 C--N 1.318 -0.769 0 N-CA-C 113.335 0.865 . . . . 1.6699999999999999 113.335 -178.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -119.79 -60.86 1.67 Allowed 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 121.087 -0.245 . . . . 3.3399999999999999 110.952 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HA ' ' HA ' ' A' ' 23' ' ' VAL . . . 65.83 24.36 11.34 Favored 'General case' 0 N--CA 1.475 0.807 0 O-C-N 123.693 0.621 . . . . 1.8999999999999999 112.224 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 6.3 p -116.79 -65.56 1.17 Allowed 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.903 -0.319 . . . . 2.1400000000000001 111.332 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 42.1 m-70 -92.03 73.06 5.56 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 121.236 0.541 . . . . 3.8900000000000001 111.286 -178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.492 HG22 ' HG2' ' A' ' 22' ' ' ARG . 2.2 t -122.26 44.4 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 N-CA-C 109.862 -0.422 . . . . 1.55 109.862 178.022 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 65.31 1.82 1.73 Allowed 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 116.364 -0.38 . . . . 1.78 111.844 179.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 68.94 -52.59 0.58 Allowed 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 124.02 0.928 . . . . 1.53 112.262 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 33' ' ' LYS . 28.1 mmtp -67.57 -50.51 58.08 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 123.038 0.535 . . . . 4.2000000000000002 112.192 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 38' ' ' VAL . 0.2 OUTLIER -73.09 -14.72 61.45 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.274 0.472 . . . . 1.48 112.274 -178.675 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.468 ' O ' ' HG3' ' A' ' 39' ' ' GLU . 1.8 tmt_? -52.09 -49.87 62.72 Favored 'General case' 0 C--N 1.31 -1.112 0 O-C-N 124.127 0.892 . . . . 3.46 112.132 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 21.8 mt-10 -78.74 -31.48 46.32 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.216 -0.902 . . . . 2.6400000000000001 111.359 -178.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -53.75 -56.3 18.63 Favored 'General case' 0 N--CA 1.468 0.438 0 O-C-N 123.735 0.647 . . . . 3.54 112.096 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.423 ' O ' ' HB3' ' A' ' 42' ' ' MET . 6.4 m -65.59 -27.91 42.83 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 N-CA-C 112.507 0.558 . . . . 1.8400000000000001 112.507 -178.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 35' ' ' ARG . 41.3 mt-10 -69.2 -40.05 78.26 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.853 0.358 . . . . 1.8400000000000001 110.28 178.46 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -69.86 -43.05 72.69 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 116.162 -0.472 . . . . 1.25 111.251 -179.213 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.57 -39.64 88.59 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.071 -0.513 . . . . 1.0900000000000001 111.429 -178.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.423 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 1.6 ptm -63.87 -34.87 78.92 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 116.117 -0.492 . . . . 1.4399999999999999 111.881 -179.362 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -80.87 -35.45 32.63 Favored 'General case' 0 CA--C 1.513 -0.457 0 O-C-N 121.918 -0.488 . . . . 1.3899999999999999 109.809 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -59.23 -40.91 87.35 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 115.307 -0.86 . . . . 2.0800000000000001 111.23 178.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.24 5.4 45.0 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 116.182 -0.463 . . . . 1.1899999999999999 111.791 -179.019 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.9 t30 59.59 31.91 21.25 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-O 121.659 0.743 . . . . 2.04 110.635 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 72.1 t80 -72.58 143.41 48.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.011 -0.995 . . . . 1.77 110.764 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 50' ' ' ASN . 1.7 pt -135.34 109.78 10.49 Favored Pre-proline 0 C--O 1.224 -0.276 0 N-CA-C 109.289 -0.634 . . . . 2.0299999999999998 109.289 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -65.97 21.06 0.09 OUTLIER 'Trans proline' 0 N--CA 1.485 1.027 0 C-N-CA 123.222 2.615 . . . . 0.92000000000000004 113.593 -179.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.483 ' H ' ' C ' ' A' ' 48' ' ' ILE . 40.6 m-80 53.85 -150.87 0.37 Allowed 'General case' 0 CA--C 1.534 0.333 0 CA-C-N 116.304 -0.407 . . . . 1.55 110.131 179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -170.39 -37.51 0.02 OUTLIER 'General case' 0 C--N 1.318 -0.796 0 N-CA-C 108.608 -0.886 . . . . 3.5299999999999998 108.608 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.49 -30.49 53.09 Favored 'General case' 0 C--O 1.223 -0.328 0 N-CA-C 109.312 -0.625 . . . . 1.6499999999999999 109.312 178.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -67.3 -28.07 67.7 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 116.084 -0.507 . . . . 0.96999999999999997 111.462 179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -71.83 -11.22 60.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.01 -0.541 . . . . 1.6699999999999999 110.352 -179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -102.08 26.33 7.75 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-O 121.216 0.531 . . . . 2.1200000000000001 110.721 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.484 HD11 " C4'" ' C' ' 11' ' ' ' DG' . 7.5 tp -138.16 60.97 1.6 Allowed 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.57 -0.53 . . . . 1.4399999999999999 109.57 178.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -162.5 153.29 17.24 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.935 -0.575 . . . . 1.8600000000000001 110.453 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 91.48 129.12 4.42 Favored Glycine 0 N--CA 1.44 -1.099 0 C-N-CA 120.51 -0.853 . . . . 2.7599999999999998 113.244 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 21.4 mtpp -80.5 126.46 31.24 Favored 'General case' 0 C--N 1.316 -0.861 0 C-N-CA 120.883 -0.327 . . . . 7.1600000000000001 110.317 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -90.37 65.07 6.12 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.263 -0.426 . . . . 6.4100000000000001 110.726 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -73.42 -19.72 60.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.702 -0.681 . . . . 6.96 110.774 -179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 43.7 tp . . . . . 0 C--N 1.323 -0.563 0 N-CA-C 109.548 -0.538 . . . . 8.8000000000000007 109.548 179.28 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 40.5 ttm . . . . . 0 CA--C 1.521 -0.141 0 CA-C-O 120.752 0.311 . . . . 7.5099999999999998 110.22 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -115.47 121.06 35.23 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-N 116.06 -0.518 . . . . 7.8300000000000001 109.931 179.446 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 90.7 Cg_endo -83.68 156.63 13.92 Favored 'Trans proline' 0 N--CA 1.453 -0.892 0 C-N-CA 122.508 2.139 . . . . 3.0499999999999998 112.984 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 2.3 p -168.98 93.13 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.953 -1.022 . . . . 1.95 109.079 179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.58 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 0.0 OUTLIER -65.96 139.68 58.26 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.999 -1.0 . . . . 1.74 112.538 179.497 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.413 ' HA ' HD23 ' B' ' 6' ' ' LEU . 0.2 OUTLIER -64.64 -31.93 73.37 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 115.327 -0.851 . . . . 1.27 109.491 179.882 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -56.17 -40.38 73.81 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 109.663 -0.495 . . . . 1.1499999999999999 109.663 177.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . 0.477 ' HB2' ' O ' ' B' ' 5' ' ' THR . 2.9 m-20 -56.72 -51.13 70.01 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 121.734 0.778 . . . . 1.8100000000000001 110.532 178.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 t -66.36 -48.99 79.1 Favored 'Isoleucine or valine' 0 C--O 1.244 0.812 0 CA-C-N 114.491 -1.231 . . . . 1.6000000000000001 112.027 179.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.48 -38.79 88.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.968 0.413 . . . . 1.22 111.85 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -62.17 -44.08 97.39 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.229 -0.441 . . . . 2.73 110.281 179.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -65.41 -33.75 76.68 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 115.945 -0.571 . . . . 1.71 111.273 179.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . . . . . . . . . . . -81.29 -20.49 40.73 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.321 0.489 . . . . 1.21 112.321 -179.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 58.65 38.36 91.43 Favored Glycine 0 C--N 1.337 0.634 0 C-N-CA 121.722 -0.275 . . . . 1.53 112.586 -179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 32.5 m -131.43 -170.13 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 N-CA-C 110.189 -0.3 . . . . 1.79 110.189 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.8 t -78.06 174.13 11.46 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.26 0.553 . . . . 2.1600000000000001 110.699 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.79 -26.49 37.14 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.523 -0.762 . . . . 2.1899999999999999 110.022 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.645 ' O ' ' HB2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -79.76 -13.7 59.25 Favored 'General case' 0 N--CA 1.465 0.298 0 C-N-CA 120.859 -0.336 . . . . 3.1699999999999999 111.224 -179.516 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -89.64 -20.9 23.12 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 112.578 0.585 . . . . 1.4099999999999999 112.578 -179.226 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -85.1 -32.82 7.52 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.337 0 C-N-CA 120.737 -0.385 . . . . 1.6200000000000001 111.929 -178.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.77 -44.18 17.36 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.282 0.563 . . . . 1.8600000000000001 109.888 -179.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.645 ' HB2' ' O ' ' B' ' 18' ' ' GLN . 2.2 ttt180 -44.11 -37.13 2.91 Favored 'General case' 0 CA--C 1.548 0.888 0 C-N-CA 124.791 1.236 . . . . 5.2400000000000002 113.556 177.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 p -78.47 -14.74 13.84 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.678 0 N-CA-C 112.059 0.392 . . . . 1.77 112.059 -178.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 59.7 t -70.8 -72.26 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.015 0.436 . . . . 1.97 110.688 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -164.56 79.03 0.36 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.773 -0.649 . . . . 3.75 109.646 179.628 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -151.68 -66.3 0.18 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.182 0.515 . . . . 4.8200000000000003 110.768 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.18 125.14 25.72 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.977 -0.556 . . . . 2.5600000000000001 110.838 179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 19.6 m -89.74 -18.75 25.76 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.448 0.642 . . . . 3.7799999999999998 110.597 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . 0.443 ' HE1' ' OP1' ' D' ' 3' ' ' ' DT' . 4.1 t-80 -69.04 66.14 0.14 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 114.594 -1.184 . . . . 2.6899999999999999 111.319 -179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 4.2 t -126.49 146.43 32.36 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.914 0 CA-C-N 115.263 -0.88 . . . . 1.52 109.189 179.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . 0.659 ' HB2' ' OG1' ' B' ' 34' ' ' THR . 7.8 m -62.85 138.35 58.51 Favored 'General case' 0 N--CA 1.445 -0.706 0 N-CA-C 109.601 -0.518 . . . . 1.8500000000000001 109.601 178.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . 0.417 ' HA ' ' HG2' ' B' ' 35' ' ' ARG . . . -58.92 -39.38 81.38 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.887 -0.597 . . . . 1.48 110.751 -179.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.511 ' HA ' ' OE1' ' B' ' 36' ' ' GLU . 2.8 tptp -66.69 -30.03 70.17 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.16 -0.473 . . . . 3.6800000000000002 111.563 -178.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.659 ' OG1' ' HB2' ' B' ' 31' ' ' SER . 0.2 OUTLIER -82.25 -40.2 21.93 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.358 -0.383 . . . . 1.8100000000000001 111.091 179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . 0.417 ' HG2' ' HA ' ' B' ' 32' ' ' ALA . 14.9 ptm180 -78.47 -21.89 48.37 Favored 'General case' 0 CA--C 1.545 0.779 0 N-CA-C 112.851 0.686 . . . . 3.48 112.851 -177.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.511 ' OE1' ' HA ' ' B' ' 33' ' ' LYS . 11.9 pt-20 -64.08 -34.52 78.23 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.104 0.478 . . . . 1.96 110.5 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 55.3 mtmt -75.14 -38.53 60.96 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.214 0.53 . . . . 2.8199999999999998 110.595 179.269 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.417 HG23 ' O ' ' B' ' 34' ' ' THR . 21.7 t -64.39 -46.65 92.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.634 -0.712 . . . . 1.4299999999999999 111.026 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -59.38 -38.41 80.43 Favored 'General case' 0 C--O 1.238 0.449 0 O-C-N 123.8 0.687 . . . . 2.27 111.058 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.42 0.8 7.42 Favored 'General case' 0 C--O 1.224 -0.279 0 N-CA-C 112.128 0.418 . . . . 1.26 112.128 178.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -121.29 -45.68 2.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.119 0.485 . . . . 0.80000000000000004 110.735 179.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.27 -30.11 69.9 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-N 116.319 -0.401 . . . . 1.52 111.733 -178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -88.87 -23.18 22.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.302 0.572 . . . . 1.0600000000000001 111.03 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -78.11 -24.41 47.51 Favored 'General case' 0 CA--C 1.517 -0.318 0 CA-C-N 115.107 -0.951 . . . . 2.1899999999999999 111.684 -178.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 79.4 mt -114.56 4.14 15.07 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.711 0.291 . . . . 1.28 111.143 179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 58.9 t30 56.5 73.81 0.43 Allowed 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.526 -0.761 . . . . 1.8400000000000001 110.132 -179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 9.3 t80 -78.92 94.82 5.29 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-N 116.231 -0.441 . . . . 1.28 111.265 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -98.25 141.21 22.58 Favored Pre-proline 0 N--CA 1.442 -0.827 0 N-CA-C 107.037 -1.468 . . . . 1.3899999999999999 107.037 177.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_exo -48.91 106.58 0.11 Allowed 'Trans proline' 0 C--O 1.238 0.485 0 C-N-CA 121.889 1.726 . . . . 1.3799999999999999 112.158 179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.474 ' HB3' H5'' ' C' ' 12' ' ' ' DC' . 63.6 t30 -59.71 119.43 7.61 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 115.98 -0.554 . . . . 2.0800000000000001 111.647 -179.151 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -82.37 162.86 22.04 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.727 -0.67 . . . . 3.4399999999999999 109.783 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 98.6 m 61.99 51.54 3.65 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-O 121.374 0.607 . . . . 1.8999999999999999 110.4 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 179.12 -24.62 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.726 0 CA-C-O 123.262 1.506 . . . . 1.21 108.294 -178.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' B' ' 50' ' ' ASN . 0.8 OUTLIER -88.45 -23.73 23.2 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 114.551 -1.204 . . . . 1.74 108.645 -179.128 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 49.5 tt0 -71.9 -40.13 69.07 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 114.168 -1.378 . . . . 3.2799999999999998 109.68 178.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.573 ' HB3' ' H21' ' C' ' 11' ' ' ' DG' . 0.0 OUTLIER -74.96 -31.45 61.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.683 -1.144 . . . . 1.6699999999999999 109.946 -179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -103.52 74.86 1.28 Allowed 'General case' 0 N--CA 1.456 -0.128 0 CA-C-O 121.152 0.501 . . . . 2.1299999999999999 110.614 -179.329 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 88.48 -108.0 3.4 Favored Glycine 0 N--CA 1.441 -1.033 0 C-N-CA 120.832 -0.699 . . . . 2.1699999999999999 112.747 179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.6 mtmp? -138.28 155.23 48.8 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.168 0.508 . . . . 6.1399999999999997 111.312 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -70.19 119.55 14.55 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.191 -0.913 . . . . 6.6900000000000004 110.111 179.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -78.19 149.04 33.79 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 109.112 -0.699 . . . . 6.6100000000000003 109.112 179.371 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 6.8 mp . . . . . 0 C--O 1.25 1.08 0 CA-C-O 117.978 -1.01 . . . . 8.7799999999999994 111.151 -179.396 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' -1' ' ' ' DC' . . . . . 0.952 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 99.35 -2.393 . . . . 5.3099999999999996 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.433 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.87 0 C3'-C2'-C1' 99.346 -2.395 . . . . 4.6799999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.644 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.815 0 C3'-C2'-C1' 99.725 -2.125 . . . . 3.3599999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.644 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O4'--C4' 1.454 0.686 0 C3'-C2'-C1' 99.597 -2.217 . . . . 2.1800000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.524 H2'' ' C8 ' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -1.031 0 C3'-C2'-C1' 99.2 -2.5 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.524 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.985 0 C3'-C2'-C1' 99.887 -2.009 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.426 ' H71' ' HB2' ' A' ' 18' ' ' GLN . . . . . . . . 0 C2'--C1' 1.506 -1.054 0 C3'-C2'-C1' 100.083 -1.869 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.778 0 C3'-C2'-C1' 99.646 -2.182 . . . . 1.3200000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.865 0 O4'-C1'-C2' 103.772 -2.116 . . . . 1.45 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.436 H2'' ' C5 ' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.99 0 C3'-C2'-C1' 99.2 -2.5 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.436 ' C5 ' H2'' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -0.979 0 O4'-C1'-C2' 103.742 -2.143 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.579 H2'' ' C5 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 P--O3' 1.617 0.832 0 C3'-C2'-C1' 100.068 -1.88 . . . . 1.0800000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.58 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.424 -0.976 0 C3'-C2'-C1' 100.068 -1.88 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.515 " H1'" ' C8 ' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.025 0 C3'-C2'-C1' 98.825 -2.768 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.515 ' C8 ' " H1'" ' C' ' 13' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.426 -0.847 0 C3'-C2'-C1' 99.439 -2.329 . . . . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.876 0 O4'-C1'-C2' 103.819 -2.074 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.62 1.083 0 C3'-C2'-C1' 99.239 -2.472 . . . . 2.5499999999999998 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.453 0.616 0 C3'-C2'-C1' 99.856 -2.031 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.009 0 C3'-C2'-C1' 99.196 -2.503 . . . . 2.4500000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.597 -0.828 0 C3'-C2'-C1' 99.034 -2.619 . . . . 2.4399999999999999 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.438 H2'' ' C6 ' ' C' ' 21' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.136 0 C3'-C2'-C1' 99.086 -2.581 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.438 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.505 -1.169 0 C3'-C2'-C1' 99.085 -2.582 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O3' 1.597 -0.844 0 C3'-C2'-C1' 99.371 -2.378 . . . . 3.4500000000000002 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.023 0 C4'-C3'-C2' 104.029 0.829 . . . . 4.1699999999999999 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.422 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.734 0 C3'-C2'-C1' 99.424 -2.34 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.422 ' C8 ' H2'' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.823 0 C4'-C3'-C2' 103.88 0.68 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.443 ' OP1' ' HE1' ' B' ' 29' ' ' HIS . . . . . . . . 0 O5'--C5' 1.43 -0.594 0 C3'-C2'-C1' 100.068 -1.88 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.586 " H2'" ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 P--O3' 1.614 0.603 0 C3'-C2'-C1' 101.347 -0.966 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.586 ' C8 ' " H2'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O4'--C4' 1.455 0.78 0 C3'-C2'-C1' 100.979 -1.23 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ' DC' . . . . . 0.512 " C2'" ' C8 ' ' D' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.733 0 O4'-C1'-N19 108.277 0.596 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . 0.512 ' C8 ' " C2'" ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.701 0 O4'-C1'-N19 109.039 1.549 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.664 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.863 0 O4'-C1'-C2' 107.241 1.037 . . . . 2.2799999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.664 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.79 0 C3'-C2'-C1' 100.628 -1.48 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.836 0 C3'-C2'-C1' 101.097 -1.145 . . . . 2.1400000000000001 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.571 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.431 -0.587 0 C3'-C2'-C1' 106.477 2.698 . . . . 2.1600000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.571 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -0.994 0 C3'-C2'-C1' 100.938 -1.259 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.49 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.519 -0.882 0 O4'-C4'-C3' 103.46 -2.14 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.65 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.424 -0.996 0 C4'-C3'-C2' 101.761 -1.439 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.65 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.41 -0.784 0 C4'-C3'-C2' 105.023 1.823 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.519 H2'' ' C5 ' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.929 0 C3'-C2'-C1' 100.989 -1.222 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.584 H2'' ' C6 ' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.431 -0.534 0 N19-C1'-C2' 115.68 0.925 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' ' DT' . . . . . 0.584 ' C6 ' H2'' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.747 0 C3'-C2'-C1' 105.605 2.075 . . . . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.519 ' C8 ' " H2'" ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.802 0 C1'-O4'-C4' 110.32 0.443 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ' DC' . . . . . 0.432 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.636 0 N19-C1'-C2' 115.757 0.973 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ' DC' . . . . . 0.432 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.848 0 N19-C1'-C2' 115.649 0.906 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' ' DG' . . . . . 0.952 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.425 -0.951 0 C5'-C4'-C3' 115.74 0.693 . . . . 3.9500000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.0 ttp . . . . . 0 N--CA 1.472 0.654 0 N-CA-C 109.915 -0.402 . . . . 5.7999999999999998 109.915 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.481 ' HD2' ' O ' ' A' ' 45' ' ' LEU . 69.2 mttt -81.17 135.95 50.43 Favored Pre-proline 0 C--N 1.331 -0.213 0 CA-C-N 115.835 -0.62 . . . . 5.2400000000000002 110.252 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_exo -72.91 50.43 1.77 Allowed 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.874 2.383 . . . . 3.9199999999999999 112.283 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.508 HG21 ' HB3' ' A' ' 45' ' ' LEU . 2.7 t -101.9 131.07 50.59 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.77 0 CA-C-O 121.566 0.698 . . . . 1.8400000000000001 110.82 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.503 HG23 ' N ' ' A' ' 6' ' ' LEU . 0.4 OUTLIER -129.64 176.06 8.31 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.383 -0.826 . . . . 2.0899999999999999 109.016 179.017 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.503 ' N ' HG23 ' A' ' 5' ' ' THR . 1.9 pp -49.97 -35.54 24.69 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.704 0.631 . . . . 1.21 112.704 -178.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.458 ' N ' HD12 ' A' ' 6' ' ' LEU . 28.5 m-85 -64.36 -34.84 79.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.479 0.181 . . . . 1.8600000000000001 111.482 -179.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -79.6 -40.25 29.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.272 -0.422 . . . . 2.1200000000000001 110.491 -179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 5' ' ' THR . 3.6 t -68.29 -35.16 69.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.361 0 CA-C-O 121.082 0.468 . . . . 0.92000000000000004 110.884 179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.628 ' HB2' ' HA ' ' A' ' 17' ' ' TYR . . . -58.08 -54.44 46.96 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.434 -0.803 . . . . 1.02 111.544 179.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 32.1 tp10 -64.27 -36.95 85.76 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 121.044 0.449 . . . . 2.4500000000000002 110.69 179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.417 ' CG ' HD11 ' A' ' 45' ' ' LEU . 50.6 t80 -63.45 -50.28 70.37 Favored 'General case' 0 N--CA 1.441 -0.924 0 CA-C-O 121.205 0.526 . . . . 1.78 110.692 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.456 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -73.41 -26.39 60.94 Favored 'General case' 0 C--N 1.313 -1.002 0 C-N-CA 120.122 -0.631 . . . . 1.1100000000000001 111.612 -179.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 87.06 29.87 21.73 Favored Glycine 0 C--N 1.333 0.38 0 C-N-CA 120.499 -0.858 . . . . 1.1699999999999999 111.969 -178.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.456 HG22 ' HB3' ' A' ' 13' ' ' ALA . 6.4 m -132.06 -173.05 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 N-CA-C 109.729 -0.471 . . . . 1.0800000000000001 109.729 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 17.7 p -73.98 164.13 27.02 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.971 0.415 . . . . 1.9199999999999999 110.187 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.628 ' HA ' ' HB2' ' A' ' 10' ' ' ALA . 4.7 p90 -85.0 7.8 20.01 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.038 -0.528 . . . . 0.96999999999999997 111.519 -179.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.518 ' O ' ' HB2' ' A' ' 22' ' ' ARG . 0.0 OUTLIER -115.08 -10.75 12.17 Favored 'General case' 0 N--CA 1.445 -0.72 0 C-N-CA 120.455 -0.498 . . . . 2.23 111.503 -179.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.9 m -73.05 -42.52 63.03 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 117.818 0.281 . . . . 1.21 110.852 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 11.1 m -66.98 -35.03 73.69 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.327 0 CA-C-O 121.165 0.507 . . . . 1.5900000000000001 111.733 179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -85.2 -14.89 45.44 Favored 'General case' 0 C--N 1.318 -0.775 0 O-C-N 121.786 -0.572 . . . . 1.6000000000000001 110.776 -178.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.518 ' HB2' ' O ' ' A' ' 18' ' ' GLN . 14.9 tpt180 -70.46 -26.29 63.56 Favored 'General case' 0 CA--C 1.513 -0.463 0 CA-C-N 115.946 -0.57 . . . . 4.2699999999999996 111.028 -179.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.5 t -58.72 -63.41 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 121.109 0.48 . . . . 1.76 110.6 -178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 m -61.84 -22.67 29.12 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.703 0 CA-C-N 115.637 -0.711 . . . . 1.8700000000000001 112.369 178.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -77.16 -64.26 1.18 Allowed 'General case' 0 N--CA 1.446 -0.668 0 CA-C-N 115.541 -0.754 . . . . 1.6699999999999999 112.04 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -146.07 -11.96 0.49 Allowed 'General case' 0 N--CA 1.468 0.475 0 N-CA-C 112.862 0.69 . . . . 3.3399999999999999 112.862 -178.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 56.69 49.32 14.67 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 123.196 0.599 . . . . 1.8999999999999999 111.623 -179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -101.51 -60.31 1.55 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 115.4 -0.818 . . . . 2.1400000000000001 111.905 -179.174 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.3 m170 -79.65 94.17 5.64 Favored 'General case' 0 CA--C 1.51 -0.57 0 N-CA-C 110.036 -0.357 . . . . 3.8900000000000001 110.036 -179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.417 ' CG1' ' HG2' ' A' ' 35' ' ' ARG . 25.3 t -138.01 -31.21 0.33 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.438 0 CA-C-N 115.619 -0.719 . . . . 1.55 111.064 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.509 ' O ' ' HG3' ' A' ' 33' ' ' LYS . 3.6 t 63.94 5.13 2.22 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.808 0.843 . . . . 1.78 111.604 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 70.97 -43.03 0.55 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.476 0.71 . . . . 1.53 111.619 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 31' ' ' SER . 20.8 mtmt -58.61 -53.01 63.12 Favored 'General case' 0 C--N 1.321 -0.667 0 C-N-CA 122.653 0.381 . . . . 4.2000000000000002 111.252 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -86.61 60.08 6.02 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.396 0.517 . . . . 1.48 112.396 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' HG2' ' CG1' ' A' ' 30' ' ' VAL . 0.0 OUTLIER -99.6 -48.67 4.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.831 0.348 . . . . 3.46 111.54 179.181 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.27 -39.57 71.49 Favored 'General case' 0 C--O 1.238 0.477 0 CA-C-N 116.519 -0.309 . . . . 2.6400000000000001 111.808 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' HD3' ' HA ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -55.53 -48.3 74.91 Favored 'General case' 0 N--CA 1.446 -0.648 0 O-C-N 123.654 0.596 . . . . 3.54 112.078 -179.574 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 93.7 t -60.43 -45.28 96.99 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.875 0 N-CA-C 112.197 0.443 . . . . 1.8400000000000001 112.197 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 65.3 mm-40 -57.69 -42.5 83.78 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.665 -0.698 . . . . 1.8400000000000001 111.809 -179.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -74.41 -38.01 63.2 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.632 -0.713 . . . . 1.25 111.218 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.49 -51.71 64.42 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.923 -0.58 . . . . 1.0900000000000001 112.403 -177.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 10.0 ptp -65.16 -26.88 68.36 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.729 0.64 . . . . 1.4399999999999999 112.729 -177.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.77 -43.12 14.54 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 112.403 0.52 . . . . 1.3899999999999999 112.403 -179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -62.11 -42.99 99.78 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 113.404 0.89 . . . . 2.0800000000000001 113.404 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.508 ' HB3' HG21 ' A' ' 4' ' ' VAL . 96.0 mt -89.09 -11.39 44.16 Favored 'General case' 0 C--N 1.314 -0.974 0 N-CA-C 112.642 0.608 . . . . 1.1899999999999999 112.642 -177.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.428 ' HB3' ' O ' ' A' ' 45' ' ' LEU . 2.8 t-20 68.13 97.03 0.06 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 108.071 -1.085 . . . . 2.04 108.071 -177.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.525 ' CE2' ' HG3' ' A' ' 49' ' ' PRO . 13.8 t80 -131.6 134.33 45.92 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 116.063 -0.517 . . . . 1.77 111.995 -178.398 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.9 mt -120.25 104.66 43.09 Favored Pre-proline 0 N--CA 1.456 -0.132 0 N-CA-C 108.431 -0.952 . . . . 2.0299999999999998 108.431 177.478 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.525 ' HG3' ' CE2' ' A' ' 47' ' ' TYR . 81.7 Cg_exo -58.57 4.22 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.401 0 C-N-CA 124.231 3.287 . . . . 0.92000000000000004 115.728 -179.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.772 ' HB2' ' OP1' ' D' ' 13' ' ' ' DC' . 0.9 OUTLIER 68.13 168.87 0.27 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 122.323 1.058 . . . . 1.55 113.58 177.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -135.58 -16.87 1.76 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.236 -1.347 . . . . 3.5299999999999998 109.098 177.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.629 ' HB3' ' HA ' ' B' ' 52' ' ' CYS . 0.1 OUTLIER -99.44 -51.25 3.83 Favored 'General case' 0 N--CA 1.437 -1.12 0 CA-C-N 115.233 -0.894 . . . . 1.6499999999999999 112.632 -178.505 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.32 64.63 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-O 121.029 0.442 . . . . 0.96999999999999997 111.932 -178.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.546 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 93.9 mt-30 -71.67 8.02 1.28 Allowed 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.557 -0.747 . . . . 1.6699999999999999 112.088 179.781 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -128.72 22.28 5.88 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.872 0.367 . . . . 2.1200000000000001 111.245 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.3 tp -110.61 -4.17 15.55 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.083 -0.508 . . . . 1.4399999999999999 110.965 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.59 ' HB2' ' H21' ' C' ' 9' ' ' ' DG' . . . -126.95 12.2 7.21 Favored 'General case' 0 C--O 1.238 0.462 0 C-N-CA 120.281 -0.567 . . . . 1.8600000000000001 112.341 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.64 83.9 1.6 Allowed Glycine 0 C--N 1.315 -0.597 0 N-CA-C 111.666 -0.574 . . . . 2.7599999999999998 111.666 -178.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.459 ' HE3' H5'' ' C' ' 10' ' ' ' DC' . 46.0 mttp -73.31 -35.11 66.03 Favored 'General case' 0 CA--C 1.514 -0.432 0 CA-C-O 120.665 0.269 . . . . 7.1600000000000001 110.695 179.382 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.37 112.36 22.24 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-N 115.943 -0.571 . . . . 6.4100000000000001 110.904 -178.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -23.6 43.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.48 -0.782 . . . . 6.96 110.832 -179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.324 -0.531 0 CA-C-N 115.779 -0.646 . . . . 8.8000000000000007 109.514 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 31.0 mtp . . . . . 0 N--CA 1.456 -0.17 0 CA-C-O 121.245 0.545 . . . . 7.5099999999999998 110.557 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.02 103.37 39.69 Favored Pre-proline 0 C--N 1.324 -0.53 0 CA-C-N 115.525 -0.761 . . . . 7.8300000000000001 110.855 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.97 157.03 43.14 Favored 'Trans proline' 0 C--N 1.351 0.683 0 C-N-CA 123.017 2.478 . . . . 3.0499999999999998 113.459 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 13.8 p -131.93 146.53 33.16 Favored 'Isoleucine or valine' 0 N--CA 1.433 -1.324 0 N-CA-C 107.929 -1.137 . . . . 1.95 107.929 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.495 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 47.9 p -133.1 168.57 18.26 Favored 'General case' 0 N--CA 1.444 -0.763 0 O-C-N 123.633 0.583 . . . . 1.74 109.684 -178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' B' ' 6' ' ' LEU . 1.4 mt -75.25 -14.1 60.49 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-O 121.834 0.826 . . . . 1.27 109.053 178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 -78.82 -33.64 45.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 114.958 -1.019 . . . . 1.1499999999999999 108.816 -179.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -65.0 -39.68 93.83 Favored 'General case' 0 CA--C 1.511 -0.554 0 CA-C-N 115.058 -0.974 . . . . 1.8100000000000001 110.164 179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 15.2 t -62.26 -43.4 97.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 114.386 -1.279 . . . . 1.6000000000000001 110.424 -179.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.16 -24.07 62.18 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.768 0.794 . . . . 1.22 110.652 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -72.16 -53.72 11.85 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 114.705 -1.134 . . . . 2.73 110.558 179.387 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 54.4 t80 -62.74 -50.21 71.97 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 112.447 0.536 . . . . 1.71 112.447 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.409 ' HB2' ' HA ' ' B' ' 38' ' ' VAL . . . -67.68 -15.36 63.6 Favored 'General case' 0 C--N 1.352 0.7 0 N-CA-C 113.53 0.937 . . . . 1.21 113.53 -177.48 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 73.6 41.24 44.28 Favored Glycine 0 N--CA 1.438 -1.184 0 N-CA-C 111.292 -0.723 . . . . 1.53 111.292 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 33.6 m -127.27 -174.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 C-N-CA 122.318 0.247 . . . . 1.79 110.577 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . 0.415 ' HB2' ' HG3' ' B' ' 18' ' ' GLN . 0.8 OUTLIER -110.11 172.28 6.96 Favored 'General case' 0 N--CA 1.426 -1.634 0 O-C-N 123.87 0.731 . . . . 2.1600000000000001 109.695 179.64 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -77.24 61.52 2.13 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.756 0.822 . . . . 2.1899999999999999 109.525 179.136 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.42 ' H ' ' H ' ' B' ' 19' ' ' THR . 1.0 OUTLIER -161.56 -23.05 0.05 Allowed 'General case' 0 N--CA 1.445 -0.715 0 N-CA-C 107.905 -1.146 . . . . 3.1699999999999999 107.905 178.589 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . 0.42 ' H ' ' H ' ' B' ' 18' ' ' GLN . 0.2 OUTLIER -94.78 -15.06 24.12 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 114.796 -1.093 . . . . 1.4099999999999999 109.036 179.623 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . . . . . . . . . 7.0 m -88.01 -22.65 6.71 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.481 0 N-CA-C 113.161 0.8 . . . . 1.6200000000000001 113.161 -177.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -78.8 -60.74 2.25 Favored 'General case' 0 C--N 1.31 -1.121 0 CA-C-N 115.145 -0.934 . . . . 1.8600000000000001 109.55 -178.51 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.427 ' HD2' HG22 ' B' ' 30' ' ' VAL . 16.4 ptt180 -59.24 -18.96 41.69 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 113.254 0.835 . . . . 5.2400000000000002 113.254 179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.655 HG21 ' HB ' ' B' ' 38' ' ' VAL . 1.4 p -78.6 -14.3 13.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 C-N-CA 120.317 -0.553 . . . . 1.77 110.833 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.1 t -70.99 -69.18 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.348 0.515 0 O-C-N 123.455 0.472 . . . . 1.97 111.185 179.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -152.71 27.04 0.56 Allowed 'General case' 0 CA--C 1.533 0.325 0 CA-C-O 120.968 0.413 . . . . 3.75 110.698 -179.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -138.46 46.01 2.03 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-O 121.485 0.66 . . . . 4.8200000000000003 110.566 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -96.99 88.11 4.43 Favored 'General case' 0 C--N 1.316 -0.859 0 CA-C-N 114.741 -1.118 . . . . 2.5600000000000001 110.754 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 2.9 p -77.59 -71.41 0.42 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.41 -0.359 . . . . 3.7799999999999998 110.373 179.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -123.95 43.16 3.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 110.368 -0.234 . . . . 2.6899999999999999 110.368 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . 0.427 HG22 ' HD2' ' B' ' 22' ' ' ARG . 14.9 t -80.24 138.46 19.77 Favored 'Isoleucine or valine' 0 C--O 1.234 0.245 0 N-CA-C 109.604 -0.517 . . . . 1.52 109.604 -179.411 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 23.4 t -61.1 117.5 5.61 Favored 'General case' 0 C--N 1.328 -0.36 0 O-C-N 123.317 0.385 . . . . 1.8500000000000001 110.407 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -56.42 -25.55 50.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.845 -0.616 . . . . 1.48 112.087 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.507 ' O ' ' HG2' ' B' ' 36' ' ' GLU . 93.6 mttt -59.39 -53.86 53.32 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 121.514 0.673 . . . . 3.6800000000000002 111.114 179.376 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.547 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.3 OUTLIER -80.17 -26.4 39.32 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.544 -0.753 . . . . 1.8100000000000001 111.882 -179.824 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -31.01 71.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.224 -0.444 . . . . 3.48 111.583 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.507 ' HG2' ' O ' ' B' ' 33' ' ' LYS . 4.2 pt-20 -77.94 -26.8 49.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 122.248 -0.282 . . . . 1.96 110.468 -177.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -73.51 -40.24 64.19 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-O 120.911 0.386 . . . . 2.8199999999999998 110.665 178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.655 ' HB ' HG21 ' B' ' 23' ' ' VAL . 2.2 t -67.68 -35.26 72.17 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 C-N-CA 119.987 -0.685 . . . . 1.4299999999999999 109.281 178.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -68.65 -40.12 80.37 Favored 'General case' 0 N--CA 1.448 -0.543 0 N-CA-C 109.76 -0.459 . . . . 2.27 109.76 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.79 -38.73 86.34 Favored 'General case' 0 C--N 1.342 0.24 0 N-CA-C 109.164 -0.68 . . . . 1.26 109.164 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.22 -44.8 95.76 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-O 121.091 0.472 . . . . 0.80000000000000004 110.948 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 70.9 mtm -63.07 -38.79 92.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.881 -0.6 . . . . 1.52 111.252 -179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.07 -36.18 66.81 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.488 0.492 . . . . 1.0600000000000001 111.283 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -70.43 -48.34 56.42 Favored 'General case' 0 CA--C 1.538 0.515 0 CA-C-N 116.277 -0.42 . . . . 2.1899999999999999 111.532 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 89.2 mt -85.22 -2.92 58.57 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.105 0.409 . . . . 1.28 112.105 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 60.06 52.67 5.0 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.703 0.763 . . . . 1.8400000000000001 109.451 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -75.64 103.99 5.99 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 115.317 -0.856 . . . . 1.28 110.973 -178.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 32.9 mt -116.37 131.84 23.62 Favored Pre-proline 0 C--N 1.315 -0.898 0 N-CA-C 107.62 -1.252 . . . . 1.3899999999999999 107.62 176.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 88.3 Cg_exo -30.32 105.33 0.03 OUTLIER 'Trans proline' 0 C--N 1.352 0.714 0 C-N-CA 124.197 3.265 . . . . 1.3799999999999999 113.302 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . 0.476 ' HB3' H5'' ' C' ' 12' ' ' ' DC' . 36.6 t30 -63.39 136.44 57.63 Favored 'General case' 0 CA--C 1.515 -0.403 0 CA-C-N 115.263 -0.88 . . . . 2.0800000000000001 111.553 -178.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.9 179.48 7.01 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.589 -0.732 . . . . 3.4399999999999999 109.771 178.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.629 ' HA ' ' HB3' ' A' ' 52' ' ' CYS . 36.0 m 56.33 36.54 27.67 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 122.259 1.028 . . . . 1.8999999999999999 109.983 179.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.431 ' H ' ' H ' ' B' ' 54' ' ' GLN . . . -168.27 -18.02 0.02 OUTLIER 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 113.902 -1.499 . . . . 1.21 110.722 -178.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . 0.431 ' H ' ' H ' ' B' ' 53' ' ' ALA . 6.4 mm-40 -85.85 -32.28 21.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.516 -0.766 . . . . 1.74 109.451 -179.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . 0.408 ' NE2' HD21 ' A' ' 50' ' ' ASN . 0.1 OUTLIER -82.83 -27.49 30.83 Favored 'General case' 0 CA--C 1.511 -0.535 0 N-CA-C 108.807 -0.812 . . . . 3.2799999999999998 108.807 179.385 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.545 ' HG ' ' O2 ' ' D' ' 11' ' ' ' DC' . 13.4 tp -81.64 -45.68 15.43 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.541 -1.209 . . . . 1.6699999999999999 110.693 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -107.22 108.49 19.94 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.394 0.616 . . . . 2.1299999999999999 110.687 178.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 155.91 -48.39 0.48 Allowed Glycine 0 C--N 1.314 -0.668 0 C-N-CA 119.885 -1.15 . . . . 2.1699999999999999 111.79 179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mtmt -71.22 92.62 1.02 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.726 -0.237 . . . . 6.1399999999999997 111.347 179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -104.65 -33.12 8.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.657 0.742 . . . . 6.6900000000000004 110.083 179.669 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 9.8 m -102.96 108.81 20.12 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.206 -0.906 . . . . 6.6100000000000003 109.095 178.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . . . . . . . . . 90.0 mt . . . . . 0 C--O 1.248 0.976 0 CA-C-N 115.595 -0.729 . . . . 8.7799999999999994 110.686 -179.393 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' -1' ' ' ' DC' . . . . . 0.968 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.506 -1.048 0 C3'-C2'-C1' 99.496 -2.289 . . . . 5.3099999999999996 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.609 H2'' ' C8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.895 0 C3'-C2'-C1' 99.674 -2.161 . . . . 4.6799999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.609 ' C8 ' H2'' ' C' ' 1' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.421 -1.203 0 O4'-C1'-C2' 103.64 -2.236 . . . . 3.3599999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.649 " H1'" ' C8 ' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.512 -0.624 0 C3'-C2'-C1' 99.602 -2.213 . . . . 2.1800000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.649 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.851 0 O4'-C1'-C2' 103.463 -2.397 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.639 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.133 0 O4'-C1'-C2' 103.983 -1.924 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.792 0 O4'-C1'-C2' 103.908 -1.993 . . . . 1.5600000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . 0.459 H2'' ' C8 ' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.843 0 C3'-C2'-C1' 99.573 -2.233 . . . . 1.3200000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.459 ' C8 ' H2'' ' C' ' 7' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.507 -1.02 0 C3'-C2'-C1' 99.754 -2.105 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.59 ' H21' ' HB2' ' A' ' 57' ' ' ALA . . . . . . . . 0 C2'--C1' 1.507 -1.0 0 C3'-C2'-C1' 99.137 -2.545 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.591 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.751 0 O4'-C1'-C2' 103.967 -1.939 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.591 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.619 0.961 0 C3'-C2'-C1' 99.606 -2.21 . . . . 1.0800000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.495 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.512 -0.611 0 C3'-C2'-C1' 99.519 -2.272 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.502 -1.331 0 C3'-C2'-C1' 98.935 -2.689 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.73 0 C3'-C2'-C1' 98.998 -2.644 . . . . 1.3100000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.505 -1.155 0 O4'-C1'-C2' 104.171 -1.753 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.923 0 C3'-C2'-C1' 99.384 -2.369 . . . . 2.5499999999999998 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.529 -2.265 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.902 0 C3'-C2'-C1' 99.68 -2.157 . . . . 2.4500000000000002 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.415 ' C8 ' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.878 0 C3'-C2'-C1' 99.56 -2.243 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.415 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.508 -0.906 0 C3'-C2'-C1' 99.358 -2.387 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.931 0 C3'-C2'-C1' 99.035 -2.618 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.507 -1.002 0 C3'-C2'-C1' 99.263 -2.455 . . . . 3.4500000000000002 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.528 0.953 0 C1'-O4'-C4' 107.378 -1.659 . . . . 4.1699999999999999 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.738 0 C3'-C2'-C1' 101.005 -1.211 . . . . 3.79 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.513 " H2'" ' H71' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.685 0 C4'-C3'-C2' 103.775 0.575 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.652 H2'' ' C7 ' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.97 0 C3'-C2'-C1' 99.252 -2.463 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.652 ' C7 ' H2'' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.805 0 O4'-C1'-C2' 104.839 -1.146 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.419 " H5'" H2'' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.888 0 C3'-C2'-C1' 101.454 -0.89 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.426 -0.872 0 O5'-P-OP2 109.493 0.442 . . . . 1.8400000000000001 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.411 -0.656 0 C3'-C2'-C1' 100.877 -1.302 . . . . 1.97 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.753 " H2'" ' C6 ' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.533 0.886 0 C3'-C2'-C1' 104.664 1.403 . . . . 2.2799999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.753 ' C6 ' " H2'" ' D' ' 8' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.68 0 C3'-C2'-C1' 100.766 -1.381 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . 0.465 " H5'" H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.409 -0.818 0 O4'-C1'-C2' 104.579 -1.382 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.545 ' O2 ' ' HG ' ' B' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.428 -0.754 0 C3'-C2'-C1' 104.443 1.245 . . . . 2.1600000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.538 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.849 0 C1'-O4'-C4' 111.072 0.98 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.772 ' OP1' ' HB2' ' A' ' 50' ' ' ASN . . . . . . . . 0 C4'--C3' 1.518 -0.964 0 O4'-C4'-C3' 102.814 -2.786 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.725 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.426 0.474 0 O4'-C4'-C3' 104.513 -1.087 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.725 ' C6 ' " H2'" ' D' ' 14' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 104.983 1.63 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.623 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.427 -0.828 0 N19-C1'-C2' 115.78 0.987 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.516 ' C5 ' H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.811 0 O4'-C1'-C2' 106.617 0.47 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' ' DT' . . . . . 0.511 ' H71' H2'' ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C4'-C3'-C2' 104.161 0.961 . . . . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.434 ' C8 ' H2'' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 C3'--C2' 1.526 0.834 0 C1'-O4'-C4' 106.526 -2.267 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ' DC' . . . . . 0.402 H2'' ' C6 ' ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.412 -0.635 0 O4'-C1'-C2' 104.98 -1.018 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ' DC' . . . . . 0.402 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.737 0 C4'-C3'-C2' 104.049 0.849 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' ' DG' . . . . . 0.968 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.411 -0.73 0 C4'-C3'-C2' 104.633 1.433 . . . . 3.9500000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.574 ' SD ' ' HG2' ' A' ' 2' ' ' LYS . 4.7 ppp? . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.552 0.215 . . . . 5.7999999999999998 110.65 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.574 ' HG2' ' SD ' ' A' ' 1' ' ' MET . 36.4 mmtt -91.61 141.27 25.62 Favored Pre-proline 0 N--CA 1.453 -0.286 0 N-CA-C 109.922 -0.399 . . . . 5.2400000000000002 109.922 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 2' ' ' LYS . 7.1 Cg_exo -71.5 62.74 2.87 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 122.551 2.168 . . . . 3.9199999999999999 112.701 -179.512 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.465 HG21 ' HB3' ' A' ' 45' ' ' LEU . 34.6 m -62.4 149.0 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.225 0 CA-C-N 115.952 -0.567 . . . . 1.8400000000000001 111.311 179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.472 ' HB ' " H3'" ' D' ' 12' ' ' ' DG' . 0.0 OUTLIER -96.61 169.48 9.86 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.173 -0.467 . . . . 2.0899999999999999 110.85 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.543 ' HB2' ' HB2' ' A' ' 17' ' ' TYR . 0.2 OUTLIER -46.07 -26.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.365 0 C-N-CA 123.39 0.676 . . . . 1.21 112.428 178.35 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -62.49 -40.93 98.27 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.704 0.288 . . . . 1.8600000000000001 111.265 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -74.61 -35.08 62.94 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.208 0.528 . . . . 2.1200000000000001 110.682 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.4 t -68.16 -37.3 77.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.236 -0.893 . . . . 0.92000000000000004 110.888 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.4 -53.24 60.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 CA-C-N 115.502 -0.772 . . . . 1.02 110.846 179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 69.4 mt-10 -62.09 -44.9 95.65 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.09 -0.959 . . . . 2.4500000000000002 110.425 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 26.2 t80 -58.23 -38.82 77.59 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 114.887 -1.052 . . . . 1.78 111.804 -179.11 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.83 -15.02 28.82 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.326 0.584 . . . . 1.1100000000000001 111.863 -179.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 82.25 31.08 32.18 Favored Glycine 0 N--CA 1.461 0.31 0 C-N-CA 120.558 -0.829 . . . . 1.1699999999999999 113.538 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 6.6 m -137.07 -164.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.312 -1.043 0 N-CA-C 109.346 -0.613 . . . . 1.0800000000000001 109.346 -179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.489 ' HB3' " H2'" ' C' ' 5' ' ' ' DG' . 95.7 p -89.32 170.45 10.55 Favored 'General case' 0 C--N 1.317 -0.832 0 N-CA-C 109.535 -0.542 . . . . 1.9199999999999999 109.535 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.543 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 26.0 p90 -82.4 22.3 0.86 Allowed 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 116.085 -0.507 . . . . 0.96999999999999997 111.009 -179.767 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 18.7 tt0 -117.8 -32.7 4.74 Favored 'General case' 0 C--O 1.223 -0.326 0 CA-C-N 115.641 -0.709 . . . . 2.23 109.944 179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.03 -37.95 81.26 Favored 'General case' 0 N--CA 1.451 -0.406 0 CA-C-O 121.591 0.71 . . . . 1.21 109.407 179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 27.4 m -68.32 -31.5 51.74 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 CA-C-N 115.138 -0.937 . . . . 1.5900000000000001 112.15 178.45 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.6 m -81.71 -19.82 40.71 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-O 121.702 0.763 . . . . 1.6000000000000001 109.93 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -60.81 -34.74 74.98 Favored 'General case' 0 CA--C 1.515 -0.369 0 CA-C-N 115.155 -0.929 . . . . 4.2699999999999996 111.364 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.469 ' O ' ' HB2' ' A' ' 27' ' ' ALA . 47.8 t -73.75 -56.33 9.66 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.336 0 CA-C-N 115.627 -0.715 . . . . 1.76 111.4 -178.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -67.8 -19.98 25.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 N-CA-C 113.297 0.851 . . . . 1.8700000000000001 113.297 -178.496 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 -96.01 -57.88 2.24 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.747 0.647 . . . . 1.6699999999999999 112.747 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 37.5 mt-30 -104.79 -54.59 2.48 Favored 'General case' 0 N--CA 1.47 0.527 0 N-CA-C 112.228 0.455 . . . . 3.3399999999999999 112.228 -177.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.469 ' HB2' ' O ' ' A' ' 23' ' ' VAL . . . 64.5 38.04 7.69 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 115.821 -0.627 . . . . 1.8999999999999999 110.757 -177.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 4.5 p -108.69 -75.66 0.63 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.05 0.452 . . . . 2.1400000000000001 110.779 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -109.43 78.66 1.15 Allowed 'General case' 0 CA--C 1.514 -0.432 0 CA-C-N 115.972 -0.558 . . . . 3.8900000000000001 110.846 -179.239 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.492 ' C ' ' H ' ' A' ' 32' ' ' ALA . 20.7 t -93.89 58.53 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.115 0.483 . . . . 1.55 109.96 179.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 47.2 t 64.81 -18.67 0.08 Allowed 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 115.531 -0.759 . . . . 1.78 112.774 -178.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.492 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 72.52 -49.27 0.69 Allowed 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.732 0.813 . . . . 1.53 111.105 -178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -88.89 -4.8 58.36 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-N 116.4 -0.364 . . . . 4.2000000000000002 110.363 179.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.608 HG23 ' HE2' ' A' ' 37' ' ' LYS . 1.1 m -133.74 45.72 2.63 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.516 0.674 . . . . 1.48 111.408 -179.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -102.35 -42.56 5.96 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.275 0.56 . . . . 3.46 110.217 179.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.42 -39.5 77.85 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.716 -0.675 . . . . 2.6400000000000001 110.312 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.608 ' HE2' HG23 ' A' ' 34' ' ' THR . 12.0 mtmm -58.2 -43.65 87.71 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.497 -0.774 . . . . 3.54 112.783 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -74.59 -33.18 31.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 N-CA-C 111.801 0.297 . . . . 1.8400000000000001 111.801 -179.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -68.0 -40.57 83.0 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.303 0.573 . . . . 1.8400000000000001 110.136 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -71.3 -39.85 71.2 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.868 -0.606 . . . . 1.25 110.577 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.19 -44.12 97.3 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 115.941 -0.572 . . . . 1.0900000000000001 111.531 179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.1 ptm -65.27 -35.45 81.05 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.864 -0.334 . . . . 1.4399999999999999 111.535 -179.333 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -73.94 -39.74 63.56 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.683 0.277 . . . . 1.3899999999999999 110.859 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 -56.68 -49.55 74.77 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.397 0.618 . . . . 2.0800000000000001 112.002 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' HB3' HG21 ' A' ' 4' ' ' VAL . 53.4 mt -86.2 2.6 46.34 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.369 -0.832 . . . . 1.1899999999999999 112.138 -179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.0 t30 57.03 36.99 28.46 Favored 'General case' 0 C--O 1.238 0.465 0 CA-C-O 121.582 0.706 . . . . 2.04 109.188 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.441 ' HD1' ' O ' ' A' ' 4' ' ' VAL . 33.0 t80 -66.85 142.14 57.43 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.83 -0.623 . . . . 1.77 110.848 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 pt -132.91 110.75 13.18 Favored Pre-proline 0 C--N 1.326 -0.419 0 CA-C-N 114.991 -1.004 . . . . 2.0299999999999998 109.89 179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_exo -55.36 0.58 0.12 Allowed 'Trans proline' 0 N--CA 1.484 0.961 0 C-N-CA 123.047 2.498 . . . . 0.92000000000000004 115.659 -179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.6 m-20 58.81 -168.34 0.14 Allowed 'General case' 0 N--CA 1.461 0.109 0 CA-C-O 121.086 0.469 . . . . 1.55 111.604 177.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 14.8 ptp180 -148.49 -35.7 0.2 Allowed 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.411 0.624 . . . . 3.5299999999999998 109.775 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' ' CA ' ' B' ' 52' ' ' CYS . 63.6 m -64.28 -49.47 71.68 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.548 -0.751 . . . . 1.6499999999999999 111.504 -179.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.92 -35.58 75.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.913 -0.585 . . . . 0.96999999999999997 111.49 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.437 ' HG2' " O3'" ' D' ' 13' ' ' ' DC' . 84.3 mt-30 -62.56 -20.88 65.12 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.649 -0.705 . . . . 1.6699999999999999 112.536 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -110.26 15.39 22.37 Favored 'General case' 0 C--O 1.239 0.546 0 CA-C-O 121.26 0.553 . . . . 2.1200000000000001 111.064 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.738 HD22 HD23 ' B' ' 56' ' ' LEU . 4.8 tp -106.67 -29.11 9.79 Favored 'General case' 0 C--N 1.317 -0.835 0 N-CA-C 109.735 -0.469 . . . . 1.4399999999999999 109.735 -179.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.7 -64.55 0.84 Allowed 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 112.801 0.667 . . . . 1.8600000000000001 112.801 179.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 138.75 90.66 0.22 Allowed Glycine 0 C--O 1.223 -0.592 0 C-N-CA 120.127 -1.035 . . . . 2.7599999999999998 113.035 179.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.539 ' HA ' H5'' ' D' ' 15' ' ' ' DC' . 68.0 mttm -87.21 17.48 4.29 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.091 0.472 . . . . 7.1600000000000001 110.945 179.484 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -130.71 159.93 35.81 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.186 -0.461 . . . . 6.4100000000000001 109.828 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.6 m -70.58 117.35 11.99 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.769 0.795 . . . . 6.96 111.756 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 12.8 tp . . . . . 0 C--N 1.324 -0.514 0 CA-C-N 114.748 -1.115 . . . . 8.8000000000000007 110.238 -179.399 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 15.7 tpt . . . . . 0 N--CA 1.457 -0.09 0 N-CA-C 110.245 -0.28 . . . . 7.5099999999999998 110.245 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 50.6 mttp -123.58 96.87 42.86 Favored Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.286 -0.415 . . . . 7.8300000000000001 109.969 179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . . . . . . . . . 5.5 Cg_exo -77.27 125.46 7.81 Favored 'Trans proline' 0 N--CA 1.451 -1.011 0 C-N-CA 122.243 1.962 . . . . 3.0499999999999998 111.751 179.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 12.2 p -92.62 148.74 4.5 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 115.683 -0.69 . . . . 1.95 109.69 178.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . 0.559 ' HA ' ' OP1' ' C' ' 12' ' ' ' DC' . 62.3 p -144.95 172.2 13.38 Favored 'General case' 0 N--CA 1.437 -1.102 0 N-CA-C 108.035 -1.098 . . . . 1.74 108.035 -179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' B' ' 6' ' ' LEU . 14.2 mt -71.58 -13.41 61.77 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.277 0.56 . . . . 1.27 110.643 179.225 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 27.7 m-85 -83.49 -34.16 25.42 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.237 0.542 . . . . 1.1499999999999999 109.924 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -69.72 -44.93 69.33 Favored 'General case' 0 C--O 1.241 0.653 0 CA-C-N 115.7 -0.682 . . . . 1.8100000000000001 110.544 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.406 HG23 ' O ' ' B' ' 5' ' ' THR . 19.7 t -59.95 -36.85 69.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 114.838 -1.074 . . . . 1.6000000000000001 110.499 179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . . . . . . . . . . . -71.0 -36.44 72.47 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.065 -0.516 . . . . 1.22 111.72 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -63.69 -51.24 65.94 Favored 'General case' 0 N--CA 1.441 -0.881 0 CA-C-N 115.464 -0.789 . . . . 2.73 109.645 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . . . . . . . . . 28.3 t80 -61.18 -39.03 88.64 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.521 -0.763 . . . . 1.71 111.061 -179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.515 ' O ' ' HE2' ' B' ' 37' ' ' LYS . . . -69.97 -20.76 63.29 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 123.518 0.511 . . . . 1.21 111.679 179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 69.93 34.98 71.71 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 121.289 -0.481 . . . . 1.53 113.009 -179.117 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 21.7 m -137.48 178.99 3.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 122.551 -0.382 . . . . 1.79 110.13 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 7.0 t -91.5 177.72 6.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.861 0.839 . . . . 2.1600000000000001 110.778 179.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -76.82 113.17 14.19 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.661 -0.7 . . . . 2.1899999999999999 109.338 178.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 5.7 tp60 158.15 -58.8 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.65 1.18 . . . . 3.1699999999999999 108.938 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -62.89 -34.11 76.71 Favored 'General case' 0 N--CA 1.447 -0.582 0 CA-C-N 115.354 -0.839 . . . . 1.4099999999999999 112.125 -178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.527 ' O ' HG12 ' B' ' 23' ' ' VAL . 18.4 t -77.68 -39.06 26.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 112.787 0.662 . . . . 1.6200000000000001 112.787 -177.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -73.38 -25.25 60.49 Favored 'General case' 0 C--N 1.317 -0.838 0 N-CA-C 112.491 0.552 . . . . 1.8600000000000001 112.491 -177.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -84.88 -25.13 28.17 Favored 'General case' 0 C--O 1.225 -0.21 0 N-CA-C 112.108 0.41 . . . . 5.2400000000000002 112.108 -179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.527 HG12 ' O ' ' B' ' 20' ' ' VAL . 4.4 p -69.52 -24.23 27.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 C-N-CA 120.657 -0.417 . . . . 1.77 111.178 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.3 t -97.21 -3.22 10.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.536 -0.542 . . . . 1.97 109.536 178.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 23.9 t-20 -117.01 -73.88 0.63 Allowed 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 116.545 -0.298 . . . . 3.75 111.101 -179.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -165.09 77.39 0.3 Allowed 'General case' 0 CA--C 1.533 0.312 0 CA-C-O 121.294 0.569 . . . . 4.8200000000000003 110.699 179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -85.56 96.4 9.63 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.415 -0.811 . . . . 2.5600000000000001 110.404 178.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 23.3 m -112.23 -41.48 3.92 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.731 -0.668 . . . . 3.7799999999999998 110.257 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -80.99 32.07 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.606 -0.725 . . . . 2.6899999999999999 111.519 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 11.8 t -118.46 144.99 25.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.189 -0.46 . . . . 1.52 109.768 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 9.7 p -65.76 -112.89 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.41 0.624 . . . . 1.8500000000000001 112.174 -179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -148.63 -55.45 0.2 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 122.053 -0.404 . . . . 1.48 110.728 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 45.2 mtpt -50.57 -41.98 54.99 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.769 0.668 . . . . 3.6800000000000002 112.78 -178.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.39 -19.48 35.97 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.078 0.466 . . . . 1.8100000000000001 111.615 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -73.51 -38.44 65.33 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.785 -0.643 . . . . 3.48 111.748 -178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -73.5 -31.18 63.59 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 116.48 -0.327 . . . . 1.96 110.92 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . 0.515 ' HE2' ' O ' ' B' ' 13' ' ' ALA . 49.2 mtpt -64.86 -42.49 94.82 Favored 'General case' 0 C--O 1.237 0.431 0 O-C-N 122.282 -0.261 . . . . 2.8199999999999998 110.789 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . . . . . . . . . 35.9 m -72.31 -31.33 38.47 Favored 'Isoleucine or valine' 0 C--O 1.238 0.461 0 C-N-CA 120.531 -0.467 . . . . 1.4299999999999999 110.888 -179.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -63.53 -48.43 77.55 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.382 -0.969 . . . . 2.27 108.382 178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.17 -42.93 91.97 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.417 -0.81 . . . . 1.26 110.655 179.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . 0.4 ' CB ' ' HB2' ' B' ' 13' ' ' ALA . . . -60.93 -51.54 68.85 Favored 'General case' 0 C--O 1.236 0.38 0 CA-C-N 115.954 -0.567 . . . . 0.80000000000000004 111.838 179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 18.0 ptt? -66.23 -29.11 69.3 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 121.189 -0.204 . . . . 1.52 111.281 -178.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -79.03 -40.07 32.35 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.586 -0.279 . . . . 1.0600000000000001 111.081 179.464 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -60.23 -51.23 70.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.16 -0.473 . . . . 2.1899999999999999 110.782 -178.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 67.1 mt -85.23 -2.83 58.48 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 116.658 -0.247 . . . . 1.28 111.285 -179.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 3.2 t30 54.82 64.28 1.86 Allowed 'General case' 0 CA--C 1.513 -0.476 0 CA-C-N 115.734 -0.666 . . . . 1.8400000000000001 110.349 179.436 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -68.11 126.58 29.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.641 0.734 . . . . 1.28 112.396 -178.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 5.8 mt -129.65 125.29 22.25 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 114.949 -1.023 . . . . 1.3899999999999999 108.25 177.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . 0.474 ' HB2' HD22 ' B' ' 62' ' ' LEU . 32.5 Cg_exo -54.74 95.89 0.05 OUTLIER 'Trans proline' 0 C--N 1.352 0.737 0 C-N-CA 122.667 2.245 . . . . 1.3799999999999999 110.954 179.493 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 28.3 t30 -78.48 142.33 37.56 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.637 -1.165 . . . . 2.0800000000000001 111.556 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -83.03 -163.17 0.69 Allowed 'General case' 0 N--CA 1.443 -0.81 0 N-CA-C 107.796 -1.187 . . . . 3.4399999999999999 107.796 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . 0.41 ' CA ' ' HB3' ' A' ' 52' ' ' CYS . 56.6 m 55.61 48.4 18.68 Favored 'General case' 0 CA--C 1.513 -0.454 0 CA-C-O 123.011 1.386 . . . . 1.8999999999999999 108.564 -178.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . 172.7 -13.1 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.046 -1.888 . . . . 1.21 109.402 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -91.87 -51.59 5.14 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 115.629 -0.714 . . . . 1.74 109.083 -178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 21.2 tp60 -66.58 -37.29 84.61 Favored 'General case' 0 C--O 1.218 -0.577 0 N-CA-C 108.062 -1.088 . . . . 3.2799999999999998 108.062 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.738 HD23 HD22 ' A' ' 56' ' ' LEU . 17.2 tp -65.35 -37.14 86.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.651 -1.159 . . . . 1.6699999999999999 110.325 177.671 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . 0.657 ' HB1' ' H21' ' D' ' 10' ' ' ' DG' . . . -69.72 -29.91 67.4 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.961 -0.563 . . . . 2.1299999999999999 110.031 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 133.39 -64.18 0.61 Allowed Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.724 -0.75 . . . . 2.1699999999999999 112.766 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.5 mtmt -107.53 146.43 31.85 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.797 0.299 . . . . 6.1399999999999997 110.288 -179.525 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . 0.434 HE21 ' HB3' ' B' ' 60' ' ' GLN . 3.6 mt-30 -102.8 105.89 16.39 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-O 120.791 0.329 . . . . 6.6900000000000004 111.171 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.27 1.73 23.83 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.772 -0.649 . . . . 6.6100000000000003 111.554 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' B' ' 49' ' ' PRO . 2.2 tp . . . . . 0 C--O 1.246 0.902 0 N-CA-C 108.872 -0.788 . . . . 8.7799999999999994 108.872 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' -1' ' ' ' DC' . . . . . 0.973 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.504 -1.201 0 C3'-C2'-C1' 99.175 -2.518 . . . . 5.3099999999999996 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.777 0 C3'-C2'-C1' 99.647 -2.181 . . . . 4.6799999999999997 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.637 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.891 0 O4'-C1'-C2' 103.713 -2.17 . . . . 3.3599999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.637 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.425 -0.908 0 C3'-C2'-C1' 98.901 -2.714 . . . . 2.1800000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.632 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.457 0.978 0 C3'-C2'-C1' 99.084 -2.583 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.489 " H2'" ' HB3' ' A' ' 16' ' ' SER . . . . . . . . 0 C2'--C1' 1.509 -0.845 0 O4'-C1'-C2' 103.912 -1.989 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.421 ' H72' " C2'" ' C' ' 5' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.51 -0.771 0 C3'-C2'-C1' 99.549 -2.251 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.91 0 C3'-C2'-C1' 99.813 -2.062 . . . . 1.3200000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.533 H2'' ' C8 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.927 0 C3'-C2'-C1' 99.738 -2.116 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.533 ' C8 ' H2'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.506 -1.072 0 C3'-C2'-C1' 99.152 -2.534 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.437 ' C4 ' ' C4 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.912 0 C3'-C2'-C1' 99.7 -2.143 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.572 ' N3 ' HD21 ' A' ' 56' ' ' LEU . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 O4'-C1'-C2' 103.855 -2.041 . . . . 1.0800000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.559 ' OP1' ' HA ' ' B' ' 5' ' ' THR . . . . . . . . 0 C2'--C1' 1.506 -1.1 0 C3'-C2'-C1' 99.373 -2.376 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . 0.406 ' N7 ' ' C2 ' ' C' ' 12' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.511 -0.691 0 C3'-C2'-C1' 99.256 -2.46 . . . . 1.24 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.509 -0.846 0 C3'-C2'-C1' 99.347 -2.395 . . . . 1.3100000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.51 -0.81 0 O4'-C1'-C2' 103.582 -2.289 . . . . 1.8 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.931 0 C3'-C2'-C1' 99.534 -2.261 . . . . 2.5499999999999998 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.43 -0.654 0 C3'-C2'-C1' 99.553 -2.248 . . . . 2.77 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -1.408 0 C3'-C2'-C1' 98.555 -2.961 . . . . 2.4500000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.469 H2'' ' C6 ' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 P--O3' 1.593 -1.148 0 C3'-C2'-C1' 99.541 -2.256 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.469 ' C6 ' H2'' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -1.008 0 C3'-C2'-C1' 99.378 -2.373 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.917 0 C3'-C2'-C1' 99.074 -2.59 . . . . 3.02 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.508 -0.955 0 C3'-C2'-C1' 99.563 -2.241 . . . . 3.4500000000000002 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.787 0 C1'-O4'-C4' 110.617 0.655 . . . . 4.1699999999999999 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.428 -0.739 0 C3'-C2'-C1' 101.305 -0.997 . . . . 3.79 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.609 " H2'" ' C6 ' ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.959 0 O4'-C1'-C2' 107.352 1.138 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.621 " H2'" ' H72' ' D' ' 4' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.51 -0.804 0 C3'-C2'-C1' 100.47 -1.593 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.621 ' H72' " H2'" ' D' ' 3' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.691 0 C4'-C3'-C2' 104.038 0.838 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.453 H2'' ' C5 ' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.678 0 C3'-C2'-C1' 101.451 -0.892 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ' DC' . . . . . 0.932 H2'' " O5'" ' D' ' 7' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.905 0 C3'-C2'-C1' 105.604 2.075 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . 0.932 " O5'" H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.423 -1.074 0 C3'-C2'-C1' 101.502 -0.856 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.543 H2'' " O4'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.427 -0.8 0 O4'-C4'-C3' 103.828 -1.772 . . . . 2.2799999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.543 " O4'" H2'' ' D' ' 8' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.854 0 C3'-C2'-C1' 100.939 -1.258 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . 0.657 ' H21' ' HB1' ' B' ' 57' ' ' ALA . . . . . . . . 0 C2'--C1' 1.51 -0.752 0 C3'-C2'-C1' 101.344 -0.968 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.796 0 C3'-C2'-C1' 105.296 1.854 . . . . 2.1600000000000001 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.472 " H3'" ' HB ' ' A' ' 5' ' ' THR . . . . . . . . 0 O5'--C5' 1.429 -0.682 0 C4'-C3'-C2' 102.198 -1.002 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.612 " H2'" ' C6 ' ' D' ' 14' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.536 1.044 0 C3'-C2'-C1' 104.851 1.537 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.612 ' C6 ' " H2'" ' D' ' 13' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.683 0 C3'-C2'-C1' 106.037 2.384 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.539 H5'' ' HA ' ' A' ' 59' ' ' LYS . . . . . . . . 0 O5'--C5' 1.427 -0.824 0 C4'-C3'-C2' 104.903 1.703 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.661 H2'' " O5'" ' D' ' 17' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.729 0 C3'-C2'-C1' 105.735 2.168 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.661 " O5'" H2'' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 101.139 -1.115 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' ' DT' . . . . . 0.471 " C2'" ' C8 ' ' D' ' 19' ' ' ' DG' . . . . . . . . 0 C3'--C2' 1.526 0.809 0 C3'-C2'-C1' 105.612 2.08 . . . . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.471 ' C8 ' " C2'" ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.425 -0.928 0 C4'-C3'-C2' 104.456 1.256 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ' DC' . . . . . 0.495 " H1'" " O4'" ' D' ' 21' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.428 -0.771 0 C3'-C2'-C1' 105.255 1.825 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ' DC' . . . . . 0.495 " O4'" " H1'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.525 0.689 0 C4'-C3'-C2' 104.903 1.703 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' ' DG' . . . . . 0.973 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.408 -0.96 0 C4'-C3'-C2' 104.738 1.538 . . . . 3.9500000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.454 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.8 OUTLIER . . . . . 0 N--CA 1.482 1.169 0 CA-C-O 121.026 0.441 . . . . 5.7999999999999998 110.098 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -126.06 153.09 73.99 Favored Pre-proline 0 C--N 1.318 -0.777 0 CA-C-N 115.364 -0.834 . . . . 5.2400000000000002 109.304 178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 7.1 Cg_exo -70.05 82.71 0.79 Allowed 'Trans proline' 0 N--CA 1.458 -0.566 0 C-N-CA 122.194 1.929 . . . . 3.9199999999999999 111.066 178.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.5 m -86.4 -177.68 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.428 -1.562 0 CA-C-N 115.113 -0.949 . . . . 1.8400000000000001 110.29 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.558 HG23 ' N ' ' A' ' 6' ' ' LEU . 0.5 OUTLIER -139.47 -173.82 3.71 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.077 -0.965 . . . . 2.0899999999999999 109.7 -178.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.832 HD13 ' HB2' ' A' ' 17' ' ' TYR . 2.2 pp -53.28 -21.54 5.64 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.646 0.609 . . . . 1.21 112.646 -179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.591 ' HD1' HD12 ' A' ' 6' ' ' LEU . 2.7 m-30 -66.17 -29.93 70.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.308 0.575 . . . . 1.8600000000000001 110.617 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -94.58 -45.78 7.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.251 0.548 . . . . 2.1200000000000001 111.226 -179.018 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.9 t -60.77 -34.75 60.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.401 -0.818 . . . . 0.92000000000000004 111.85 -178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.85 74.53 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.531 -0.304 . . . . 1.02 111.234 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -65.25 -47.72 75.79 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 116.081 -0.509 . . . . 2.4500000000000002 111.284 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -61.49 -38.44 87.32 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.743 -0.662 . . . . 1.78 111.267 179.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.94 -17.79 42.34 Favored 'General case' 0 C--N 1.314 -0.961 0 N-CA-C 113.396 0.887 . . . . 1.1100000000000001 113.396 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 74.49 31.38 58.94 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.922 -0.656 . . . . 1.1699999999999999 113.894 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.1 m -138.89 173.97 10.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 N-CA-C 109.764 -0.458 . . . . 1.0800000000000001 109.764 -179.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.0 p -73.28 170.68 14.52 Favored 'General case' 0 CA--C 1.512 -0.488 0 N-CA-C 109.051 -0.722 . . . . 1.9199999999999999 109.051 178.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.832 ' HB2' HD13 ' A' ' 6' ' ' LEU . 5.2 p90 -75.92 -13.06 60.25 Favored 'General case' 0 N--CA 1.438 -1.027 0 C-N-CA 120.344 -0.542 . . . . 0.96999999999999997 110.7 179.577 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.529 HE22 ' N6 ' ' D' ' 16' ' ' ' DA' . 1.7 tt0 -69.27 -33.29 73.0 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.144 -0.48 . . . . 2.23 109.964 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -34.24 77.66 Favored 'General case' 0 N--CA 1.444 -0.751 0 CA-C-N 115.89 -0.596 . . . . 1.21 110.299 -179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 9.7 t -78.25 -38.19 23.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 N-CA-C 108.573 -0.899 . . . . 1.5900000000000001 108.573 178.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 27.1 m -63.12 -24.26 67.81 Favored 'General case' 0 CA--C 1.511 -0.546 0 CA-C-N 115.371 -0.831 . . . . 1.6000000000000001 110.421 179.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.1 mtt180 -71.63 -51.87 20.96 Favored 'General case' 0 C--N 1.318 -0.79 0 N-CA-C 112.411 0.523 . . . . 4.2699999999999996 112.411 -178.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 18.4 m -64.51 -27.31 42.3 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.521 0 N-CA-C 112.829 0.677 . . . . 1.76 112.829 -178.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 24.9 m -84.48 -29.5 7.01 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.942 0 O-C-N 121.781 -0.574 . . . . 1.8700000000000001 110.685 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 -74.46 -69.0 0.48 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.652 -0.249 . . . . 1.6699999999999999 110.978 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -143.97 -12.11 0.65 Allowed 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 112.761 0.652 . . . . 3.3399999999999999 112.761 -178.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . 57.68 54.64 6.15 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 120.96 0.409 . . . . 1.8999999999999999 110.946 -179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -82.8 0.32 Allowed 'General case' 0 N--CA 1.443 -0.798 0 CA-C-O 121.39 0.614 . . . . 2.1400000000000001 112.59 -178.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -92.79 67.29 4.45 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.665 -0.414 . . . . 3.8900000000000001 111.772 -177.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.506 ' C ' ' H ' ' A' ' 32' ' ' ALA . 1.9 t -101.43 37.75 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.513 -0.472 0 CA-C-N 116.464 -0.334 . . . . 1.55 111.27 179.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.3 m 70.08 -25.89 0.16 Allowed 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.82 0.7 . . . . 1.78 112.081 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.506 ' H ' ' C ' ' A' ' 30' ' ' VAL . . . 77.7 -6.32 2.0 Allowed 'General case' 0 C--O 1.234 0.274 0 C-N-CA 123.992 0.917 . . . . 1.53 110.688 -179.754 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -130.27 7.36 4.99 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-O 121.287 0.565 . . . . 4.2000000000000002 110.065 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -130.74 27.11 4.97 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-O 121.661 0.743 . . . . 1.48 109.584 179.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 4.7 ttt180 -93.54 -40.52 10.26 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 115.582 -0.735 . . . . 3.46 109.899 -177.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.51 -25.58 62.31 Favored 'General case' 0 C--N 1.319 -0.742 0 N-CA-C 108.908 -0.775 . . . . 2.6400000000000001 108.908 -179.363 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.24 -54.42 45.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 114.302 -1.317 . . . . 3.54 111.874 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 2.3 m -76.35 -28.16 18.01 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.636 -0.711 . . . . 1.8400000000000001 112.163 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 42' ' ' MET . 25.3 mt-10 -68.12 -43.45 78.35 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 121.944 -0.473 . . . . 1.8400000000000001 111.152 179.456 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.63 -42.39 95.52 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.334 -0.394 . . . . 1.25 110.266 179.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.99 3.51 12.08 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-O 121.147 0.499 . . . . 1.0900000000000001 111.601 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.48 ' HB3' ' O ' ' A' ' 39' ' ' GLU . 15.3 ttp -88.49 -59.27 2.28 Favored 'General case' 0 N--CA 1.435 -1.207 0 N-CA-C 107.885 -1.154 . . . . 1.4399999999999999 107.885 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.53 -25.12 62.97 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.037 -0.529 . . . . 1.3899999999999999 111.857 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -64.7 -48.73 73.6 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 113.601 0.963 . . . . 2.0800000000000001 113.601 -178.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 73.9 mt -91.94 -7.34 49.34 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 117.568 0.167 . . . . 1.1899999999999999 111.278 -177.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.1 t-20 76.94 54.28 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.083 0 CA-C-O 123.41 1.576 . . . . 2.04 109.586 -178.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.466 ' CD1' ' HA ' ' A' ' 5' ' ' THR . 5.4 t80 -74.24 122.48 22.9 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 113.996 -1.456 . . . . 1.77 110.816 178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 34.8 mm -114.32 102.65 54.97 Favored Pre-proline 0 N--CA 1.468 0.452 0 C-N-CA 123.914 0.886 . . . . 2.0299999999999998 110.812 179.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 10.4 Cg_exo -72.87 34.38 0.32 Allowed 'Trans proline' 0 CA--C 1.538 0.711 0 C-N-CA 123.258 2.639 . . . . 0.92000000000000004 113.466 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.484 HD21 H5'' ' D' ' 12' ' ' ' DG' . 63.8 m-80 49.56 -168.72 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 113.308 0.855 . . . . 1.55 113.308 178.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.416 HH11 ' HD3' ' A' ' 51' ' ' ARG . 5.5 tpp180 -94.89 -66.93 0.88 Allowed 'General case' 0 N--CA 1.44 -0.95 0 O-C-N 121.676 -0.64 . . . . 3.5299999999999998 110.911 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 4.5 p -137.14 42.96 2.38 Favored 'General case' 0 CA--C 1.514 -0.409 0 CA-C-O 121.737 0.78 . . . . 1.6499999999999999 112.169 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.72 -19.17 64.73 Favored 'General case' 0 C--N 1.306 -1.291 0 CA-C-N 114.541 -1.209 . . . . 0.96999999999999997 111.45 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -81.59 -7.28 59.57 Favored 'General case' 0 CA--C 1.515 -0.384 0 CA-C-N 115.584 -0.735 . . . . 1.6699999999999999 111.754 179.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 32.1 mt-30 -93.05 33.8 1.15 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 120.592 -0.443 . . . . 2.1200000000000001 111.013 179.266 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.578 HD22 HD23 ' B' ' 56' ' ' LEU . 9.3 tp -129.73 3.6 4.97 Favored 'General case' 0 CA--C 1.519 -0.22 0 CA-C-O 121.805 0.812 . . . . 1.4399999999999999 110.419 178.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -126.45 2.98 6.95 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.046 -0.979 . . . . 1.8600000000000001 109.512 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -105.88 121.16 6.64 Favored Glycine 0 CA--C 1.5 -0.88 0 C-N-CA 120.193 -1.003 . . . . 2.7599999999999998 110.695 179.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 72.7 mttt -105.47 134.72 48.11 Favored 'General case' 0 N--CA 1.442 -0.829 0 N-CA-C 109.443 -0.577 . . . . 7.1600000000000001 109.443 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -62.5 -15.48 50.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.698 0.285 . . . . 6.4100000000000001 111.325 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -86.81 49.2 1.77 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.977 -0.556 . . . . 6.96 110.878 179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.547 HD23 ' H ' ' A' ' 62' ' ' LEU . 1.7 pt? . . . . . 0 C--O 1.237 0.403 0 CA-C-N 115.967 -0.561 . . . . 8.8000000000000007 110.279 179.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 20.9 ttt . . . . . 0 CA--C 1.516 -0.362 0 N-CA-C 109.283 -0.636 . . . . 7.5099999999999998 109.283 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.437 ' HB2' ' HD3' ' B' ' 3' ' ' PRO . 2.0 mptp? -98.88 -54.4 0.19 Allowed Pre-proline 0 C--N 1.323 -0.586 0 CA-C-N 115.13 -0.941 . . . . 7.8300000000000001 110.5 179.307 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' PRO . . . . . 0.437 ' HD3' ' HB2' ' B' ' 2' ' ' LYS . 95.0 Cg_endo -85.13 174.4 7.22 Favored 'Trans proline' 0 C--N 1.363 1.305 0 C-N-CA 121.775 1.65 . . . . 3.0499999999999998 112.048 178.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' VAL . . . . . . . . . . . . . 7.3 p -137.35 136.51 46.68 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.353 0 N-CA-C 108.823 -0.806 . . . . 1.95 108.823 -179.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' THR . . . . . . . . . . . . . 48.9 p -68.65 164.13 22.23 Favored 'General case' 0 C--N 1.314 -0.942 0 N-CA-C 113.535 0.939 . . . . 1.74 113.535 178.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 17.1 mt -72.61 -17.46 61.68 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.423 -0.808 . . . . 1.27 109.796 178.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' TYR . . . . . . . . . . . . . 40.4 m-85 -71.03 -41.33 70.96 Favored 'General case' 0 CA--C 1.515 -0.394 0 CA-C-O 121.225 0.536 . . . . 1.1499999999999999 109.931 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ASP . . . . . . . . . . . . . 50.5 m-20 -62.46 -60.29 3.76 Favored 'General case' 0 CA--C 1.502 -0.898 0 CA-C-N 115.321 -0.854 . . . . 1.8100000000000001 110.362 179.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.449 HG11 ' HB2' ' B' ' 47' ' ' TYR . 12.5 m -56.05 -26.16 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 CA-C-N 116.051 -0.522 . . . . 1.6000000000000001 111.152 -179.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ALA . . . . . 0.418 ' HB2' HG21 ' B' ' 20' ' ' VAL . . . -74.79 -41.2 60.44 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-O 121.632 0.729 . . . . 1.22 110.499 179.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 15.7 tp10 -65.63 -50.17 65.99 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 115.417 -0.811 . . . . 2.73 111.661 -179.044 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.428 ' CE2' ' HG2' ' B' ' 44' ' ' GLU . 36.0 t80 -62.98 -27.19 69.24 Favored 'General case' 0 C--O 1.205 -1.259 0 CA-C-N 115.927 -0.579 . . . . 1.71 110.665 179.093 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ALA . . . . . 0.538 ' HB3' HG22 ' B' ' 15' ' ' VAL . . . -78.77 -14.59 59.19 Favored 'General case' 0 C--O 1.244 0.776 0 O-C-N 121.064 -1.022 . . . . 1.21 113.459 -179.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' GLY . . . . . . . . . . . . . . . 72.21 31.85 63.42 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.365 -0.922 . . . . 1.53 111.028 -177.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . 0.538 HG22 ' HB3' ' B' ' 13' ' ' ALA . 27.7 m -131.77 -169.98 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 N-CA-C 110.02 -0.363 . . . . 1.79 110.02 -178.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' SER . . . . . . . . . . . . . 1.4 p -108.84 169.97 8.33 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.332 0.587 . . . . 2.1600000000000001 112.231 -177.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . . . . . . . . . 63.3 t80 -78.75 65.14 3.91 Favored 'General case' 0 N--CA 1.464 0.275 0 CA-C-O 122.069 0.938 . . . . 2.1899999999999999 109.399 178.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . 0.521 ' O ' ' HD2' ' B' ' 22' ' ' ARG . 0.0 OUTLIER -167.14 -38.45 0.02 OUTLIER 'General case' 0 N--CA 1.449 -0.489 0 CA-C-N 113.808 -1.542 . . . . 3.1699999999999999 109.376 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -73.92 -30.15 62.42 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 115.438 -0.801 . . . . 1.4099999999999999 110.676 -179.535 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' VAL . . . . . 0.441 ' HA ' HG11 ' B' ' 38' ' ' VAL . 18.1 t -61.9 -61.81 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 113.9 -1.5 . . . . 1.6200000000000001 111.265 179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' SER . . . . . . . . . . . . . 1.8 p -61.47 -50.73 71.6 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 120.104 -0.638 . . . . 1.8600000000000001 111.474 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ARG . . . . . 0.521 ' HD2' ' O ' ' B' ' 18' ' ' GLN . 0.0 OUTLIER -49.84 -46.5 51.39 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 112.899 0.703 . . . . 5.2400000000000002 112.899 -177.748 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -65.41 -11.39 11.91 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.868 0 N-CA-C 114.561 1.319 . . . . 1.77 114.561 -178.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 74.7 t -70.82 -62.63 1.21 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.682 0 CA-C-O 120.842 0.354 . . . . 1.97 110.26 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -172.5 29.24 0.01 OUTLIER 'General case' 0 C--N 1.342 0.278 0 N-CA-C 108.834 -0.802 . . . . 3.75 108.834 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -122.04 18.08 10.86 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.219 -0.9 . . . . 4.8200000000000003 111.29 -178.579 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ALA . . . . . . . . . . . . . . . -157.38 171.57 20.15 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.881 0.372 . . . . 2.5600000000000001 111.622 178.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' SER . . . . . . . . . . . . . 1.4 m -136.0 -56.97 0.77 Allowed 'General case' 0 N--CA 1.449 -0.485 0 CA-C-N 116.132 -0.485 . . . . 3.7799999999999998 111.827 -178.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.28 69.62 10.48 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.081 0.4 . . . . 2.6899999999999999 112.081 -178.413 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' VAL . . . . . . . . . . . . . 30.7 t -113.03 137.03 47.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.597 0 N-CA-C 108.251 -1.018 . . . . 1.52 108.251 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 72.7 m -49.59 119.13 3.2 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.557 0.536 . . . . 1.8500000000000001 111.178 179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ALA . . . . . . . . . . . . . . . -60.51 -23.07 64.25 Favored 'General case' 0 C--O 1.233 0.234 0 C-N-CA 122.554 0.342 . . . . 1.48 111.495 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -68.45 -43.1 77.8 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.059 -0.519 . . . . 3.6800000000000002 111.133 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' THR . . . . . 0.5 ' O ' HG23 ' B' ' 38' ' ' VAL . 0.2 OUTLIER -86.27 -19.8 29.37 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 116.368 -0.378 . . . . 1.8100000000000001 110.582 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -55.1 -51.46 66.33 Favored 'General case' 0 N--CA 1.456 -0.172 0 CA-C-N 115.943 -0.571 . . . . 3.48 110.527 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.15 -23.11 64.84 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.93 -0.577 . . . . 1.96 111.546 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 mttp -70.64 -46.44 63.29 Favored 'General case' 0 C--O 1.235 0.325 0 O-C-N 121.916 -0.49 . . . . 2.8199999999999998 110.955 179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 34' ' ' THR . 14.5 t -63.79 -44.68 98.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.975 -0.557 . . . . 1.4299999999999999 111.192 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -60.12 -45.35 93.3 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 109.967 -0.383 . . . . 2.27 109.967 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.529 ' O ' ' HB2' ' B' ' 44' ' ' GLU . . . -53.0 -39.89 63.43 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.42 -0.809 . . . . 1.26 111.039 178.224 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' ALA . . . . . . . . . . . . . . . -76.69 -46.16 26.72 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.165 0.431 . . . . 0.80000000000000004 112.165 179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' MET . . . . . . . . . . . . . 57.3 mtm -57.21 -38.41 73.68 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.957 -0.565 . . . . 1.52 111.004 -179.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ALA . . . . . . . . . . . . . . . -81.73 -30.66 32.39 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-O 120.786 0.327 . . . . 1.0600000000000001 111.282 179.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLU . . . . . 0.529 ' HB2' ' O ' ' B' ' 40' ' ' ALA . 2.7 tp10 -56.27 -55.34 34.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.198 -0.456 . . . . 2.1899999999999999 111.446 -178.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.1 mp -93.46 -7.5 44.26 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 110.009 -0.367 . . . . 1.28 110.009 179.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASN . . . . . . . . . . . . . 26.4 t-20 62.08 80.72 0.22 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 115.831 -0.622 . . . . 1.8400000000000001 110.899 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' TYR . . . . . 0.449 ' HB2' HG11 ' B' ' 9' ' ' VAL . 12.5 t80 -66.31 117.36 8.46 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.772 -0.649 . . . . 1.28 111.71 179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' ILE . . . . . . . . . . . . . 66.8 mt -120.34 126.93 26.57 Favored Pre-proline 0 N--CA 1.441 -0.898 0 N-CA-C 108.048 -1.093 . . . . 1.3899999999999999 108.048 177.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' PRO . . . . . . . . . . . . . 45.9 Cg_exo -40.62 110.18 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 123.553 2.836 . . . . 1.3799999999999999 113.198 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -64.91 139.65 58.78 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.413 -0.812 . . . . 2.0800000000000001 111.559 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -87.64 170.78 10.98 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 115.761 -0.654 . . . . 3.4399999999999999 109.873 179.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' CYS . . . . . . . . . . . . . 33.8 m 60.92 37.93 17.97 Favored 'General case' 0 C--O 1.218 -0.605 0 O-C-N 124.061 0.851 . . . . 1.8999999999999999 109.962 -178.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -167.38 -23.54 0.02 OUTLIER 'General case' 0 CA--C 1.552 1.048 0 CA-C-N 114.217 -1.356 . . . . 1.21 111.36 -178.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -73.9 -32.36 63.54 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 107.233 -1.395 . . . . 1.74 107.233 179.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -73.72 -37.76 65.02 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 114.279 -1.328 . . . . 3.2799999999999998 109.915 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LEU . . . . . 0.578 HD23 HD22 ' A' ' 56' ' ' LEU . 0.0 OUTLIER -62.62 -60.01 4.11 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.141 -0.936 . . . . 1.6699999999999999 110.638 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ALA . . . . . . . . . . . . . . . -83.05 79.9 9.22 Favored 'General case' 0 N--CA 1.436 -1.138 0 CA-C-N 115.723 -0.671 . . . . 2.1299999999999999 111.822 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLY . . . . . . . . . . . . . . . 165.55 -21.79 0.13 Allowed Glycine 0 C--N 1.339 0.711 0 C-N-CA 120.841 -0.695 . . . . 2.1699999999999999 113.091 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' B' ' 62' ' ' LEU . 1.8 mtpp -78.36 51.03 0.98 Allowed 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 113.026 0.751 . . . . 6.1399999999999997 113.026 -178.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -98.24 -24.05 15.41 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.297 0.57 . . . . 6.6900000000000004 110.393 178.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' SER . . . . . . . . . . . . . 1.4 m -134.31 20.9 3.69 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-N 115.61 -0.723 . . . . 6.6100000000000003 110.143 178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 59' ' ' LYS . 25.6 tp . . . . . 0 C--O 1.25 1.119 0 CA-C-O 117.841 -1.076 . . . . 8.7799999999999994 109.453 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' -1' ' ' ' DC' . . . . . 0.96 ' O2 ' ' N2 ' ' D' ' 22' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.973 0 C3'-C2'-C1' 99.338 -2.401 . . . . 5.3099999999999996 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ' DG' . . . . . 0.438 ' C8 ' H2'' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.507 -1.004 0 C3'-C2'-C1' 99.395 -2.36 . . . . 4.6799999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.653 H2'' ' C6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.506 -1.073 0 O4'-C1'-C2' 104.031 -1.881 . . . . 3.3599999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.653 ' C6 ' H2'' ' C' ' 2' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.508 -0.913 0 O4'-C1'-C2' 103.818 -2.075 . . . . 2.1800000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' ' DA' . . . . . 0.549 ' C8 ' " H1'" ' C' ' 3' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.508 -0.906 0 C3'-C2'-C1' 99.854 -2.033 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ' DG' . . . . . 0.491 ' C8 ' H2'' ' C' ' 4' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.887 0 O4'-C1'-C2' 103.875 -2.022 . . . . 1.3500000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ' DT' . . . . . 0.424 ' C5 ' H2'' ' C' ' 5' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.816 0 C3'-C2'-C1' 99.631 -2.192 . . . . 1.5600000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.456 0.935 0 C3'-C2'-C1' 99.374 -2.376 . . . . 1.3200000000000001 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . 0.426 H2'' ' C8 ' ' C' ' 9' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.422 -1.145 0 C3'-C2'-C1' 99.574 -2.233 . . . . 1.45 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' ' DG' . . . . . 0.426 ' C8 ' H2'' ' C' ' 8' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.505 -1.179 0 C3'-C2'-C1' 99.527 -2.267 . . . . 1.54 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ' DC' . . . . . 0.586 H2'' ' C8 ' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.426 -0.884 0 O4'-C1'-C2' 103.752 -2.134 . . . . 1.3300000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' ' DG' . . . . . 0.586 ' C8 ' H2'' ' C' ' 10' ' ' ' DC' . . . . . . . . 0 P--O3' 1.618 0.891 0 C3'-C2'-C1' 99.849 -2.036 . . . . 1.0800000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . 0.421 ' C6 ' H2'' ' C' ' 11' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.509 -0.876 0 C3'-C2'-C1' 99.903 -1.998 . . . . 0.97999999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.504 -1.218 0 C3'-C2'-C1' 99.663 -2.169 . . . . 1.24 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.528 H2'' ' C5 ' ' C' ' 15' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.509 -0.823 0 C3'-C2'-C1' 99.162 -2.527 . . . . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' ' DC' . . . . . 0.528 ' C5 ' H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.509 -0.881 0 C3'-C2'-C1' 99.331 -2.406 . . . . 1.8 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.424 -1.01 0 C3'-C2'-C1' 99.2 -2.5 . . . . 2.5499999999999998 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' ' DC' . . . . . 0.463 " H1'" ' C8 ' ' C' ' 18' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.429 -0.689 0 C3'-C2'-C1' 99.189 -2.508 . . . . 2.77 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' ' DA' . . . . . 0.463 ' C8 ' " H1'" ' C' ' 17' ' ' ' DC' . . . . . . . . 0 C2'--C1' 1.505 -1.173 0 C3'-C2'-C1' 99.436 -2.332 . . . . 2.4500000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.508 ' C8 ' ' H72' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.508 -0.946 0 C3'-C2'-C1' 99.439 -2.33 . . . . 2.4399999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.508 ' H72' ' C8 ' ' C' ' 19' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.427 -0.789 0 C3'-C2'-C1' 99.207 -2.495 . . . . 2.5099999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ' DT' . . . . . 0.474 ' C6 ' H2'' ' C' ' 20' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.509 -0.866 0 C3'-C2'-C1' 98.862 -2.741 . . . . 3.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.425 -0.907 0 O4'-C1'-C2' 103.85 -2.045 . . . . 3.4500000000000002 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' -1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O5'--C5' 1.427 -0.783 0 C3'-C2'-C1' 100.658 -1.458 . . . . 4.1699999999999999 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ' DA' . . . . . 0.545 H2'' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.609 0 C3'-C2'-C1' 100.874 -1.304 . . . . 3.79 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ' DA' . . . . . 0.545 ' C8 ' H2'' ' D' ' 1' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.43 -0.64 0 C1'-O4'-C4' 110.792 0.78 . . . . 3.1800000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ' DT' . . . . . 0.444 ' H72' ' C8 ' ' D' ' 2' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.507 -0.971 0 C3'-C2'-C1' 101.365 -0.954 . . . . 2.3999999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' ' DT' . . . . . 0.613 " H2'" ' C8 ' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.521 -0.684 0 O4'-C4'-C3' 104.601 -0.999 . . . . 1.78 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ' DG' . . . . . 0.613 ' C8 ' " H2'" ' D' ' 4' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.426 -0.902 0 C3'-C2'-C1' 100.999 -1.215 . . . . 1.8100000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ' DC' . . . . . 0.461 ' OP2' H2'' ' D' ' 5' ' ' ' DG' . . . . . . . . 0 O3'--C3' 1.442 0.843 0 C3'-C2'-C1' 106.499 2.714 . . . . 1.8400000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ' DG' . . . . . 0.445 ' C8 ' H2'' ' D' ' 6' ' ' ' DC' . . . . . . . . 0 P--O3' 1.624 1.412 0 C3'-C2'-C1' 100.646 -1.467 . . . . 1.97 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' ' DT' . . . . . 0.447 H2'' " O5'" ' D' ' 9' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.428 -0.723 0 C3'-C2'-C1' 105.133 1.738 . . . . 2.2799999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' ' DT' . . . . . 0.448 H2'' " H2'" ' D' ' 10' ' ' ' DG' . . . . . . . . 0 C2'--C1' 1.511 -0.698 0 C3'-C2'-C1' 101.024 -1.197 . . . . 2.0800000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ' DG' . . . . . 0.448 " H2'" H2'' ' D' ' 9' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.507 -0.984 0 C3'-C2'-C1' 100.247 -1.752 . . . . 2.1400000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' ' DC' . . . . . 0.617 " H2'" ' C8 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.43 -0.618 0 C3'-C2'-C1' 105.575 2.053 . . . . 2.1600000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' ' DG' . . . . . 0.617 ' C8 ' " H2'" ' D' ' 11' ' ' ' DC' . . . . . . . . 0 O4'--C1' 1.407 -1.036 0 C4'-C3'-C2' 104.697 1.497 . . . . 1.99 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' ' DC' . . . . . 0.541 ' C4 ' ' C5 ' ' D' ' 12' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.427 -0.829 0 C1'-O4'-C4' 106.601 -2.213 . . . . 1.03 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' ' DT' . . . . . 0.689 " H2'" ' C6 ' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.639 0 C3'-C2'-C1' 105.009 1.65 . . . . 1.28 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' ' DC' . . . . . 0.701 H2'' ' C8 ' ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.425 -0.95 0 C4'-C3'-C2' 104.925 1.725 . . . . 1.6699999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' ' DA' . . . . . 0.701 ' C8 ' H2'' ' D' ' 15' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.429 -0.718 0 C3'-C2'-C1' 99.968 -1.951 . . . . 2.02 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' ' DC' . . . . . 0.536 ' C5 ' " H1'" ' D' ' 16' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.428 -0.755 0 C5'-C4'-C3' 116.081 0.92 . . . . 2.4199999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' ' DT' . . . . . 0.649 H2'' " O4'" ' D' ' 19' ' ' ' DG' . . . . . . . . 0 O5'--C5' 1.424 -0.982 0 C3'-C2'-C1' 105.335 1.882 . . . . 3.0499999999999998 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' ' DG' . . . . . 0.649 " O4'" H2'' ' D' ' 18' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.429 -0.716 0 O4'-C1'-C2' 107.478 1.253 . . . . 2.29 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ' DC' . . . . . 0.679 ' H6 ' " O5'" ' D' ' 20' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.426 -0.881 0 C1'-O4'-C4' 110.794 0.782 . . . . 3.1400000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ' DC' . . . . . 0.522 ' C6 ' H2'' ' D' ' 20' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.535 0.733 0 O4'-C1'-C2' 104.396 -1.549 . . . . 3.77 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' ' DG' . . . . . 0.96 ' N2 ' ' O2 ' ' C' ' -1' ' ' ' DC' . . . . . . . . 0 O5'--C5' 1.43 -0.595 0 C4'-C3'-C2' 102.307 -0.893 . . . . 3.9500000000000002 . . . . . . . . . . 1 1 . 1 stop_ save_