data_6pmg_residue ############################ # Computer software used # ############################ 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 6pmg _Structure_validation_residue.Date_analyzed 2020-04-24 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 108.79 -0.819 . . . . 74.12 108.79 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . 0.575 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 7.8 tt -62.21 120.06 10.21 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.589 -0.893 . . . . 72.42 108.589 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.537 ' SG ' ' CD2' ' X' ' 341' ' ' HIS . 38.1 m -56.58 141.76 41.95 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.552 1.158 . . . . 74.44 112.419 -173.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -60.98 -23.18 65.16 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.844 -0.617 . . . . 64.11 110.295 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.91 -49.42 68.06 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.869 0.868 . . . . 72.44 109.416 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -87.84 1.99 52.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.035 0.934 . . . . 75.13 111.854 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.02 133.36 44.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.954 -0.758 . . . . 61.52 108.954 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.11 117.76 7.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.415 0.686 . . . . 72.25 111.283 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.92 -8.49 27.51 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.046 -0.525 . . . . 52.01 112.251 -170.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -91.28 -153.41 29.48 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 123.634 0.635 . . . . 73.31 111.924 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 44.8 p -82.93 -47.84 11.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.396 0.678 . . . . 74.45 110.759 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.98 64.06 Favored Glycine 0 N--CA 1.469 0.839 0 CA-C-N 115.086 -0.961 . . . . 42.43 111.889 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -116.14 124.12 49.55 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.28 1.032 . . . . 71.43 110.093 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 94.9 m -82.77 126.06 74.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.968 -0.753 . . . . 52.43 108.968 166.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.3 -28.96 85.23 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.674 2.249 . . . . 65.51 112.553 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.88 -18.48 56.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.985 0.914 . . . . 71.24 111.713 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 68.0 -124.48 20.27 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.448 0.467 . . . . 74.52 113.395 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.2 -32.7 73.94 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.904 0.882 . . . . 75.42 110.622 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -72.73 -5.1 35.48 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.037 0.935 . . . . 71.53 112.277 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.74 122.58 14.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.913 0.885 . . . . 74.14 111.366 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.52 -32.33 73.87 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.127 0.892 . . . . 62.13 111.252 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.454 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 92.8 m-85 -75.47 125.42 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.666 -0.697 . . . . 71.22 109.211 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 57.2 t -76.51 129.55 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.225 1.01 . . . . 64.22 110.224 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.537 ' CD2' ' SG ' ' X' ' 320' ' ' CYS . 16.2 m80 -86.41 148.78 47.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 109.378 -0.601 . . . . 72.13 109.378 -177.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . 0.575 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 36.6 Cg_endo . . . . . 0 C--N 1.368 1.563 0 C-N-CA 122.124 1.883 . . . . 53.25 112.071 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 57.0 mttp . . . . . 0 C--O 1.243 0.711 0 CA-C-O 120.943 0.401 . . . . 74.12 110.704 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . 0.422 HD13 ' HD3' ' X' ' 342' ' ' PRO . 56.0 tp -64.44 144.29 57.29 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.897 -1.047 . . . . 72.42 109.938 172.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' X' ' 341' ' ' HIS . 74.3 m -58.98 132.03 52.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.012 0.525 . . . . 74.44 110.216 174.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -56.75 -25.7 55.62 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.898 . . . . 64.11 111.469 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -64.83 -44.67 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.661 1.184 . . . . 72.44 110.35 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . 0.484 ' HE2' ' SG ' ' X' ' 331' ' ' CYS . 39.0 m-85 -88.74 -17.05 30.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.812 0.845 . . . . 75.13 111.438 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.68 154.68 28.58 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.287 0.635 . . . . 61.52 110.467 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -62.07 126.2 26.5 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.6 0.76 . . . . 72.25 111.164 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.43 -12.86 56.94 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.79 -0.641 . . . . 52.01 112.125 -170.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.16 171.8 34.36 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.541 0.591 . . . . 73.31 112.395 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 13.1 t -85.79 -3.25 58.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.79 0.836 . . . . 74.45 112.432 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 74.33 -0.64 53.6 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 123.598 0.618 . . . . 42.43 114.276 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -115.64 118.38 32.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.237 1.015 . . . . 71.43 110.611 -175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . 0.484 ' SG ' ' HE2' ' X' ' 323' ' ' PHE . 87.9 m -83.19 130.49 56.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.405 -0.961 . . . . 52.43 108.405 164.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -58.62 -30.6 92.6 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 123.363 2.709 . . . . 65.51 112.85 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.84 -16.39 41.5 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.6 0.76 . . . . 71.24 111.646 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.44 -122.45 26.83 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 119.73 -0.483 . . . . 74.52 112.902 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.59 -30.49 71.51 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.043 0.937 . . . . 75.42 111.282 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.43 2.97 34.01 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.321 -0.854 . . . . 71.53 111.731 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.79 132.24 51.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.623 0.769 . . . . 74.14 110.794 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.29 -12.36 59.09 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.9 0.88 . . . . 62.13 111.649 -172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.74 160.47 14.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.43 0.692 . . . . 71.22 110.328 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 18.9 t -82.36 132.11 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 114.926 -1.033 . . . . 64.22 111.356 -167.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.443 ' CD2' ' SG ' ' X' ' 320' ' ' CYS . 22.0 m170 -92.52 154.63 42.57 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 124.318 1.047 . . . . 72.13 109.13 174.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . 0.422 ' HD3' HD13 ' X' ' 319' ' ' LEU . 80.3 Cg_endo . . . . . 0 C--N 1.379 2.161 0 C-N-CA 122.233 1.956 . . . . 53.25 111.241 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm . . . . . 0 C--O 1.244 0.796 0 N-CA-C 107.986 -1.116 . . . . 74.12 107.986 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.53 136.29 58.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.426 1.079 . . . . 72.42 110.667 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 60.4 m -67.25 135.4 53.33 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.458 0.703 . . . . 74.44 109.661 171.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -64.37 -20.08 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.994 0.426 . . . . 64.11 110.393 171.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -64.28 -47.19 80.47 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 115.257 -0.883 . . . . 72.44 109.438 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -87.54 1.53 53.3 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.341 -0.845 . . . . 75.13 111.337 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -86.68 159.49 19.17 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.666 0.786 . . . . 61.52 109.926 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -71.41 121.95 19.5 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.321 0.648 . . . . 72.25 110.048 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 112.04 -20.62 21.52 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 115.686 -0.688 . . . . 52.01 111.691 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.88 166.05 32.34 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 111.23 -0.748 . . . . 73.31 111.23 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 82.1 p -72.73 -28.03 62.41 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.662 0.785 . . . . 74.45 111.85 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 99.93 -6.35 58.44 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 115.536 -0.756 . . . . 42.43 112.468 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -114.75 116.78 29.2 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.644 0.778 . . . . 71.43 110.227 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 72.1 m -76.25 135.36 69.66 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-O 118.679 -0.677 . . . . 52.43 109.639 171.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.89 -28.65 78.42 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.825 2.35 . . . . 65.51 113.456 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -80.84 -29.19 35.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.8 0.84 . . . . 71.24 111.503 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.2 -123.18 7.73 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.416 -0.658 . . . . 74.52 112.051 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.03 -34.56 73.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.696 0.798 . . . . 75.42 110.353 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.48 2.89 8.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.206 1.003 . . . . 71.53 112.725 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.13 129.77 40.96 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 74.14 111.277 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.67 -37.96 65.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.221 1.008 . . . . 62.13 111.258 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -70.96 123.19 21.46 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.536 -0.913 . . . . 71.22 108.536 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.19 135.57 26.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 123.623 0.577 . . . . 64.22 110.386 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.57 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 29.2 m170 -82.13 152.85 68.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 114.861 -1.063 . . . . 72.13 110.138 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--N 1.372 1.802 0 C-N-CA 122.593 2.195 . . . . 53.25 111.995 -178.074 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 59.8 mttm . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 108.236 -1.024 . . . . 74.12 108.236 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 127.47 32.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 117.87 0.305 . . . . 72.42 110.516 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.562 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 80.7 m -69.38 125.92 28.16 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.602 0.564 . . . . 74.44 110.333 170.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -59.59 -27.41 66.26 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.113 0.965 . . . . 64.11 110.209 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.921 1.288 . . . . 72.44 110.624 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -91.82 -12.14 34.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.2 1.0 . . . . 75.13 111.405 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.69 158.92 29.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.359 0.664 . . . . 61.52 109.631 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -54.97 136.5 47.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.247 1.019 . . . . 72.25 112.132 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 94.71 -9.93 70.83 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.775 -0.648 . . . . 52.01 112.768 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -94.29 -167.72 37.11 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-N 116.945 0.372 . . . . 73.31 112.472 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 74.9 p -116.95 -21.81 8.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.657 0.783 . . . . 74.45 110.595 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 95.63 20.94 25.41 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.293 0.371 . . . . 42.43 112.348 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -114.79 109.83 18.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.565 0.746 . . . . 71.43 110.57 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 97.1 m -83.22 122.67 77.51 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 108.677 -0.86 . . . . 52.43 108.677 165.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.28 -12.45 31.94 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.487 2.124 . . . . 65.51 112.825 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -85.69 -34.05 21.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.73 0.812 . . . . 71.24 110.533 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 59.94 -100.66 0.21 Allowed Glycine 0 C--N 1.352 1.444 0 O-C-N 123.905 0.753 . . . . 74.52 113.304 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.39 -35.54 75.89 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.644 0.778 . . . . 75.42 110.531 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -84.29 12.04 7.34 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.659 -0.701 . . . . 71.53 112.146 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 48.0 t -75.06 119.03 18.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.634 0.774 . . . . 74.14 109.792 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.29 -38.04 89.0 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.486 0.66 . . . . 62.13 110.323 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -80.65 122.17 26.77 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.209 -1.36 . . . . 71.22 110.185 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 6.4 p -74.0 145.1 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 114.757 -1.11 . . . . 64.22 110.01 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.562 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 23.6 m170 -86.7 136.76 34.33 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 115.778 -0.646 . . . . 72.13 109.673 -174.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo . . . . . 0 C--N 1.388 2.64 0 C-N-CA 124.244 3.296 . . . . 53.25 114.04 -170.215 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.464 0.23 0 N-CA-C 108.324 -0.991 . . . . 74.12 108.324 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . 0.434 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 8.4 tt -62.53 127.42 31.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.331 -1.359 . . . . 72.42 107.331 174.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.642 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 82.6 m -57.89 122.21 12.38 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.718 0.636 . . . . 74.44 111.281 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.98 -22.57 60.67 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.234 0.959 . . . . 64.11 111.261 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.74 -46.71 65.26 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.066 -0.97 . . . . 72.44 109.315 173.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . 0.526 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 15.9 m-85 -86.14 2.44 46.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.468 1.107 . . . . 75.13 111.62 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.92 144.69 56.5 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 122.931 0.492 . . . . 61.52 110.259 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -68.35 109.48 3.66 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.611 0.764 . . . . 72.25 108.963 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.44 11.2 24.01 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.152 -0.931 . . . . 52.01 111.611 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -112.42 -158.13 13.76 Favored Glycine 0 C--N 1.345 1.079 0 C-N-CA 123.384 0.516 . . . . 73.31 112.512 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 48.7 p -80.84 -46.47 15.27 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.751 0.786 . . . . 74.45 111.177 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.32 61.95 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 114.61 -1.177 . . . . 42.43 112.177 -177.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -115.96 126.2 53.55 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.277 1.031 . . . . 71.43 109.892 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.83 142.86 52.99 Favored Pre-proline 0 N--CA 1.477 0.923 0 N-CA-C 109.352 -0.61 . . . . 52.43 109.352 167.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -67.39 -12.61 36.43 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.679 2.253 . . . . 65.51 112.629 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.18 -23.37 22.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.863 0.865 . . . . 71.24 110.206 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.88 -132.09 12.6 Favored Glycine 0 C--N 1.353 1.481 0 CA-C-N 115.851 -0.613 . . . . 74.52 111.978 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 36.1 tp -74.83 -14.29 60.67 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.635 0.774 . . . . 75.42 110.145 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -87.11 17.07 4.46 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.182 0.993 . . . . 71.53 111.461 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.7 t -71.95 143.68 49.18 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.429 0.691 . . . . 74.14 112.095 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.47 -31.81 58.0 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.905 0.882 . . . . 62.13 111.367 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.629 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 70.9 m-85 -91.98 154.45 18.79 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.089 -0.959 . . . . 71.22 111.415 -169.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.44 125.4 27.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 124.738 1.215 . . . . 64.22 111.407 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.642 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 61.5 m170 -88.02 126.6 60.54 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.486 0.714 . . . . 72.13 109.874 174.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . 0.434 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 54.5 Cg_endo . . . . . 0 C--N 1.382 2.322 0 C-N-CA 122.743 2.295 . . . . 53.25 110.84 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . 0.503 ' HB2' ' HA ' ' X' ' 339' ' ' PHE . 45.1 mtmt . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 109.293 -0.632 . . . . 74.12 109.293 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.94 117.44 3.44 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.099 0.874 . . . . 72.42 108.95 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.535 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 89.0 m -63.98 127.49 31.64 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.787 -0.642 . . . . 74.44 111.441 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -61.9 -24.69 67.1 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.272 0.983 . . . . 64.11 110.59 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.42 -46.54 82.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.998 0.919 . . . . 72.44 109.769 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . 0.462 ' HE2' ' SG ' ' X' ' 331' ' ' CYS . 31.7 m-85 -89.4 0.22 57.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.92 0.888 . . . . 75.13 111.71 -176.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.87 157.61 37.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.846 0.458 . . . . 61.52 110.084 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -68.02 120.29 14.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.63 0.772 . . . . 72.25 110.556 -177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.08 -15.16 56.82 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 111.866 -0.494 . . . . 52.01 111.866 -171.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -85.06 174.53 49.5 Favored Glycine 0 C--N 1.346 1.093 0 C-N-CA 123.386 0.517 . . . . 73.31 112.16 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.2 p -70.58 -51.13 30.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.397 0.679 . . . . 74.45 111.715 -175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 101.14 4.25 53.9 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-N 115.346 -0.843 . . . . 42.43 111.67 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -113.69 121.22 43.45 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.974 0.909 . . . . 71.43 109.606 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . 0.462 ' SG ' ' HE2' ' X' ' 323' ' ' PHE . 87.2 m -85.22 142.89 38.61 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 122.971 0.509 . . . . 52.43 110.318 171.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.33 -23.91 58.4 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 123.093 2.528 . . . . 65.51 112.952 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -91.04 -20.41 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.465 0.706 . . . . 71.24 110.761 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 66.95 -109.02 2.68 Favored Glycine 0 C--N 1.354 1.554 0 O-C-N 123.538 0.524 . . . . 74.52 112.869 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.7 tp -75.6 -32.77 60.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.498 0.719 . . . . 75.42 110.281 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -76.46 7.96 3.94 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.255 0.622 . . . . 71.53 112.188 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 45.5 t -66.53 119.37 11.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.642 0.777 . . . . 74.14 111.648 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.25 -26.46 67.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.222 1.009 . . . . 62.13 110.918 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.503 ' HA ' ' HB2' ' X' ' 318' ' ' LYS . 55.2 m-85 -81.58 122.01 27.04 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.231 1.013 . . . . 71.22 108.624 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.93 132.21 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.905 0.882 . . . . 64.22 111.067 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.535 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 10.4 m80 -88.04 118.77 70.02 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.892 -1.151 . . . . 72.13 107.892 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo . . . . . 0 C--N 1.38 2.223 0 C-N-CA 123.187 2.591 . . . . 53.25 114.056 -171.555 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--O 1.237 0.402 0 N-CA-C 108.033 -1.099 . . . . 74.12 108.033 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.17 135.96 52.95 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.602 -0.888 . . . . 72.42 108.602 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.562 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.3 m -63.59 128.91 37.96 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.831 0.707 . . . . 74.44 111.08 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -59.14 -23.92 62.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.154 1.382 . . . . 64.11 111.342 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.53 -46.88 71.51 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.244 -0.889 . . . . 72.44 109.397 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -75.13 -25.13 58.18 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.771 0.828 . . . . 75.13 111.103 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.41 127.58 33.39 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.654 -0.869 . . . . 61.52 108.654 171.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.11 138.42 58.39 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.737 0.648 . . . . 72.25 110.346 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.0 -22.19 23.71 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 109.904 -1.278 . . . . 52.01 109.904 -162.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.28 -147.35 11.92 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 110.895 -0.882 . . . . 73.31 110.895 165.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 34.9 p -107.4 -21.01 13.08 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.899 0.88 . . . . 74.45 111.632 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 90.73 -12.69 67.93 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.669 1.128 . . . . 42.43 112.728 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -118.05 132.84 56.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.663 1.185 . . . . 71.43 110.021 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 77.3 m -81.92 121.72 79.41 Favored Pre-proline 0 N--CA 1.475 0.78 0 CA-C-O 118.22 -0.895 . . . . 52.43 109.245 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.22 -33.03 89.69 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.956 3.104 . . . . 65.51 113.629 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -78.05 -18.33 55.94 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.169 0.988 . . . . 71.24 111.121 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.17 -129.37 9.06 Favored Glycine 0 C--N 1.35 1.319 0 N-CA-C 110.856 -0.897 . . . . 74.52 110.856 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.02 -21.4 64.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.075 0.95 . . . . 75.42 111.42 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -69.83 -12.18 61.43 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.14 0.976 . . . . 71.53 112.532 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.82 127.36 28.12 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.341 1.056 . . . . 74.14 112.368 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.18 -33.58 71.12 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.85 1.26 . . . . 62.13 111.813 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -80.36 131.19 35.59 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.527 -0.916 . . . . 71.22 108.527 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.07 142.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 O-C-N 123.678 0.611 . . . . 64.22 110.106 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.562 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 24.9 m80 -90.93 142.52 27.57 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.62 0.768 . . . . 72.13 109.992 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo . . . . . 0 C--N 1.379 2.184 0 C-N-CA 122.322 2.014 . . . . 53.25 111.476 -179.319 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 106.585 -1.635 . . . . 74.12 106.585 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.96 134.04 46.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.736 0.414 . . . . 72.42 110.602 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.563 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 60.1 m -69.12 128.54 37.0 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.22 -0.9 . . . . 74.44 110.635 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -25.35 68.17 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.244 0.545 . . . . 64.11 109.547 168.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.9 -45.26 86.66 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 114.672 -1.149 . . . . 72.44 110.906 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.59 9.5 18.32 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.967 0.728 . . . . 75.13 112.967 -172.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.42 121.43 15.75 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.721 -0.844 . . . . 61.52 108.721 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.76 125.28 23.83 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.539 0.736 . . . . 72.25 110.772 -177.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.91 -19.55 30.21 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.356 -0.838 . . . . 52.01 111.654 -168.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.49 -158.83 34.99 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 123.473 0.558 . . . . 73.31 112.575 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 9.7 t -66.88 -36.23 81.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.509 0.724 . . . . 74.45 111.374 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 78.09 -9.48 32.29 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.544 -0.753 . . . . 42.43 114.791 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -117.11 137.08 52.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.652 0.781 . . . . 71.43 110.199 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 84.6 m -90.9 147.19 35.37 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.919 -0.562 . . . . 52.43 110.477 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.85 -26.27 67.45 Favored 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.621 2.214 . . . . 65.51 112.749 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -94.5 -23.54 17.66 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.605 0.762 . . . . 71.24 110.601 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 62.74 -103.62 0.66 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 123.764 0.665 . . . . 74.52 112.962 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.64 -32.31 73.91 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.163 0.985 . . . . 75.42 110.642 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -92.14 17.55 9.38 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.063 -0.972 . . . . 71.53 111.919 -173.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 50.4 t -80.35 121.3 25.52 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.596 0.759 . . . . 74.14 110.934 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -23.72 60.43 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.3 0.64 . . . . 62.13 110.849 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.494 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 98.5 m-85 -71.27 112.6 7.54 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.701 -1.222 . . . . 71.22 107.701 165.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 6.0 p -75.71 144.81 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.131 0.491 . . . . 64.22 110.199 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.563 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 21.7 m170 -90.08 139.47 27.28 Favored Pre-proline 0 N--CA 1.471 0.576 0 C-N-CA 123.689 0.796 . . . . 72.13 110.035 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 C--N 1.372 1.803 0 C-N-CA 122.321 2.014 . . . . 53.25 112.422 -173.848 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . 0.531 ' HG3' ' HA ' ' X' ' 339' ' ' PHE . 8.4 ptpp? . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 108.909 -0.775 . . . . 74.12 108.909 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.94 124.78 20.45 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.39 -0.823 . . . . 72.42 110.899 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.524 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 91.6 m -62.77 120.87 12.09 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.643 0.777 . . . . 74.44 111.465 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -57.08 -27.66 61.93 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.837 0.855 . . . . 64.11 111.011 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.84 -45.24 86.95 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.181 0.992 . . . . 72.44 110.195 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . 0.5 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 9.9 m-85 -81.49 -14.85 56.49 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.628 -0.714 . . . . 75.13 111.581 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.55 156.32 36.95 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.215 0.606 . . . . 61.52 110.411 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -66.29 127.2 31.31 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.402 0.681 . . . . 72.25 110.784 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.58 24.62 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 110.831 -0.907 . . . . 52.01 110.831 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.38 168.93 31.26 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.67 -0.572 . . . . 73.31 111.67 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 328' ' ' THR . . . . . 0.4 HG22 ' H ' ' X' ' 330' ' ' PHE . 10.2 t -84.18 -14.33 50.42 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.451 0.7 . . . . 74.45 111.359 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 89.28 -0.56 81.38 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 116.34 -0.391 . . . . 42.43 113.356 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . 0.4 ' H ' HG22 ' X' ' 328' ' ' THR . 81.8 t80 -113.71 129.01 56.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.551 1.141 . . . . 71.43 109.774 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 90.0 m -89.44 133.21 35.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 123.189 0.596 . . . . 52.43 109.477 169.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.02 -27.5 84.78 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 122.569 2.18 . . . . 65.51 112.122 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -79.72 -30.5 40.93 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.869 -1.06 . . . . 71.24 110.864 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 65.55 -112.65 5.14 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.422 0.451 . . . . 74.52 113.11 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 52.8 tp -69.72 -32.07 70.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.532 0.733 . . . . 75.42 110.164 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -77.1 -1.77 30.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.761 0.824 . . . . 71.53 111.666 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 49.5 t -68.16 119.68 13.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.755 0.822 . . . . 74.14 110.782 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.44 -31.46 69.79 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.815 0.846 . . . . 62.13 109.932 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.539 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 79.7 m-85 -67.31 126.62 29.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.71 -0.677 . . . . 71.22 110.187 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' X' ' 318' ' ' LYS . 84.4 t -67.91 130.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.89 1.276 . . . . 64.22 111.315 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.524 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.5 m170 -89.6 118.89 69.43 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 108.859 -0.793 . . . . 72.13 108.859 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo . . . . . 0 C--N 1.372 1.768 0 C-N-CA 123.343 2.695 . . . . 53.25 113.486 -176.062 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 107.588 -1.264 . . . . 74.12 107.588 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.42 118.06 4.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.898 0.879 . . . . 72.42 110.013 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.521 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.9 m -63.15 124.61 21.62 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 122.953 0.501 . . . . 74.44 111.531 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -59.08 -28.64 66.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.797 0.839 . . . . 64.11 111.189 172.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.26 -42.0 80.24 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.542 0.737 . . . . 72.44 110.152 174.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . 0.479 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 11.1 m-85 -90.2 2.81 54.98 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.534 0.733 . . . . 75.13 111.948 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.58 159.78 29.02 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.266 0.626 . . . . 61.52 110.221 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -66.27 109.8 2.8 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.411 -0.589 . . . . 72.25 109.411 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.85 14.45 17.3 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.776 -0.647 . . . . 52.01 112.224 -174.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -99.36 -178.35 31.38 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 116.98 0.39 . . . . 73.31 112.41 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 32.3 p -71.09 -39.97 71.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.391 0.676 . . . . 74.45 110.375 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.7 -8.18 61.58 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 114.483 -1.235 . . . . 42.43 112.341 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -114.54 119.62 37.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.4 0.68 . . . . 71.43 110.213 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 68.6 m -77.53 124.0 86.72 Favored Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 109.338 -0.616 . . . . 52.43 109.338 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.05 -23.82 76.05 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.576 2.184 . . . . 65.51 113.095 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -68.32 -21.01 64.78 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.16 0.984 . . . . 71.24 111.158 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.08 -127.48 11.04 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 116.215 -0.448 . . . . 74.52 112.454 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.2 tp -72.94 -26.56 61.43 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.305 0.642 . . . . 75.42 110.449 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -77.91 4.23 12.54 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.83 0.852 . . . . 71.53 112.314 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.4 t -65.02 116.45 6.45 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.77 0.319 . . . . 74.14 110.832 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.11 -34.18 59.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.47 0.708 . . . . 62.13 111.085 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.506 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 78.3 m-85 -60.19 109.57 1.01 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.151 -0.931 . . . . 71.22 109.517 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.76 118.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.853 0.72 . . . . 64.22 110.528 -174.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.521 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.8 m170 -68.24 148.19 98.27 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 114.824 -1.08 . . . . 72.13 109.906 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo . . . . . 0 C--N 1.373 1.836 0 C-N-CA 122.484 2.123 . . . . 53.25 112.594 -179.279 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.1 mttp . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 109.341 -0.614 . . . . 74.12 109.341 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.16 125.04 21.99 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.748 0.419 . . . . 72.42 110.165 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.642 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 81.7 m -65.22 127.11 30.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.891 0.744 . . . . 74.44 111.733 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.37 -19.46 65.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.086 0.954 . . . . 64.11 110.634 170.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -69.31 -44.92 70.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.574 1.15 . . . . 72.44 109.414 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.86 -13.21 57.93 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.919 -1.037 . . . . 75.13 111.25 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.71 120.43 17.3 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.252 -0.647 . . . . 61.52 109.252 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -64.74 146.5 54.69 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.447 0.699 . . . . 72.25 112.467 -171.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.35 4.18 35.2 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 114.459 -1.246 . . . . 52.01 111.487 -165.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -134.51 -147.64 5.62 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 123.441 0.543 . . . . 73.31 112.071 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 62.2 p -76.22 -37.16 58.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.456 0.702 . . . . 74.45 111.852 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 84.92 -7.38 74.9 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.587 -0.733 . . . . 42.43 111.899 -170.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -114.88 133.01 56.33 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.265 1.026 . . . . 71.43 110.376 -176.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 93.8 m -82.87 125.07 76.19 Favored Pre-proline 0 N--CA 1.469 0.52 0 N-CA-C 108.745 -0.835 . . . . 52.43 108.745 169.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.1 -22.43 67.58 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.583 2.189 . . . . 65.51 112.335 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . 0.436 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 58.1 m-85 -75.84 -27.74 57.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.892 0.877 . . . . 71.24 110.935 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 71.96 -117.94 6.69 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 115.644 -0.707 . . . . 74.52 112.174 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.61 -22.39 60.97 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.759 0.824 . . . . 75.42 110.424 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -88.43 19.74 3.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.855 0.862 . . . . 71.53 110.902 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 46.7 t -65.42 135.01 54.7 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.96 0.904 . . . . 74.14 111.75 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.04 -44.27 85.11 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.643 -0.708 . . . . 62.13 109.707 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.642 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 34.5 m-85 -85.5 139.6 31.34 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.185 -0.916 . . . . 71.22 110.039 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 69.1 t -79.04 132.56 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.486 0.714 . . . . 64.22 111.262 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.629 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.0 m170 -81.71 134.87 49.82 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.397 -0.819 . . . . 72.13 108.99 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo . . . . . 0 C--N 1.376 2.008 0 C-N-CA 122.654 2.236 . . . . 53.25 112.116 178.622 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 C--O 1.24 0.572 0 N-CA-C 106.054 -1.832 . . . . 74.12 106.054 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 38.1 tp -59.66 124.19 19.31 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.874 0.734 . . . . 72.42 109.432 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.451 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 59.4 m -64.43 131.24 46.6 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.4 1.063 . . . . 74.44 109.92 176.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -62.41 -24.33 67.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.77 0.828 . . . . 64.11 110.792 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.57 -44.24 74.87 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.299 1.04 . . . . 72.44 110.046 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -81.26 -6.05 58.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.03 0.932 . . . . 75.13 112.15 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.93 129.63 40.5 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.594 -0.891 . . . . 61.52 108.594 169.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -57.2 127.61 32.86 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.9 0.75 . . . . 72.25 111.903 -166.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.19 1.46 58.19 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.819 -0.628 . . . . 52.01 112.743 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.51 -146.07 10.64 Favored Glycine 0 C--N 1.357 1.695 0 N-CA-C 112.169 -0.372 . . . . 73.31 112.169 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 67.3 p -84.48 -41.94 16.08 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.568 0.699 . . . . 74.45 109.685 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.39 -8.31 75.06 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 114.987 -1.006 . . . . 42.43 113.102 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -115.52 123.54 48.77 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.545 1.138 . . . . 71.43 108.871 176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.69 130.32 68.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 109.031 -0.729 . . . . 52.43 109.031 168.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.65 -24.98 48.24 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.999 2.466 . . . . 65.51 113.59 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -70.95 -44.67 65.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.781 0.832 . . . . 71.24 110.032 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.55 -121.45 6.24 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.763 -0.653 . . . . 74.52 111.972 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.2 tp -74.96 -28.06 60.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.972 0.909 . . . . 75.42 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -84.23 14.69 4.08 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 71.53 112.019 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.48 116.58 11.99 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.763 -0.829 . . . . 74.14 108.763 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.41 -34.14 76.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.731 0.644 . . . . 62.13 110.349 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.439 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 66.1 m-85 -64.68 104.78 0.86 Allowed 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.2 0.937 . . . . 71.22 108.537 177.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.95 128.16 29.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 115.189 -0.914 . . . . 64.22 110.745 -172.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.451 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 24.5 m170 -80.75 150.14 68.91 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 114.633 -1.167 . . . . 72.13 109.999 -174.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.373 1.841 0 C-N-CA 122.716 2.277 . . . . 53.25 112.809 -174.736 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . 0.687 ' HB2' ' H ' ' X' ' 340' ' ' VAL . 26.2 mtpp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 108.806 -0.812 . . . . 74.12 108.806 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.99 113.55 3.16 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.399 0.679 . . . . 72.42 110.161 -169.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.552 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 58.1 m -63.16 131.82 49.76 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 124.317 1.01 . . . . 74.44 110.955 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -58.09 -27.66 63.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.286 0.991 . . . . 64.11 111.091 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.42 -44.55 78.49 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.255 0.622 . . . . 72.44 110.298 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . 0.468 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 23.5 m-85 -81.44 -4.58 56.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.815 0.846 . . . . 75.13 111.616 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.89 148.92 43.92 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.839 -0.43 . . . . 61.52 109.839 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -61.54 125.29 23.26 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 123.879 0.737 . . . . 72.25 110.976 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.38 -9.26 49.2 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.765 -0.652 . . . . 52.01 112.26 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.76 -173.0 41.06 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 123.314 0.483 . . . . 73.31 112.106 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 76.5 p -76.21 -33.81 59.25 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.968 0.507 . . . . 74.45 110.622 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 91.34 -1.16 76.07 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 114.975 -1.011 . . . . 42.43 112.168 -173.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.08 122.55 45.48 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.333 1.053 . . . . 71.43 110.901 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 95.2 m -81.79 141.48 47.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.15 0.58 . . . . 52.43 109.505 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.03 -33.56 91.72 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.878 2.385 . . . . 65.51 112.629 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -82.24 -18.33 42.89 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.633 -0.712 . . . . 71.24 111.383 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 72.48 -123.25 9.02 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-O 119.728 -0.485 . . . . 74.52 111.905 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.5 tp -73.8 -19.35 60.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.104 0.562 . . . . 75.42 110.891 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -72.66 -14.02 61.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.811 0.445 . . . . 71.53 111.958 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 37.6 t -58.83 119.71 7.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.84 0.856 . . . . 74.14 110.749 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.27 -36.1 82.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.38 0.672 . . . . 62.13 110.663 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.487 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 47.3 m-85 -69.87 121.59 17.6 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.511 -0.768 . . . . 71.22 109.166 177.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . 0.687 ' H ' ' HB2' ' X' ' 318' ' ' LYS . 25.8 t -80.31 136.5 23.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 123.554 0.741 . . . . 64.22 110.633 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.552 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.4 m170 -86.78 132.34 42.54 Favored Pre-proline 0 C--O 1.239 0.509 0 CA-C-N 115.063 -0.971 . . . . 72.13 110.462 -169.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo . . . . . 0 C--N 1.384 2.415 0 C-N-CA 123.141 2.561 . . . . 53.25 110.812 174.779 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 C--O 1.239 0.52 0 N-CA-C 108.399 -0.963 . . . . 74.12 108.399 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . 0.426 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 7.7 tt -70.13 129.38 39.25 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.297 -1.32 . . . . 72.42 109.748 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 36.2 m -58.82 125.85 25.21 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.73 0.812 . . . . 74.44 110.812 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -62.06 -22.33 65.67 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.158 0.583 . . . . 64.11 110.105 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -63.03 -42.92 99.9 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.397 1.079 . . . . 72.44 110.213 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -84.98 -17.68 36.87 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.948 0.899 . . . . 75.13 111.335 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -76.65 144.26 39.59 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.062 -0.718 . . . . 61.52 109.062 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -62.56 141.29 58.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.649 0.78 . . . . 72.25 111.184 -174.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 100.56 -19.81 50.93 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.886 -0.886 . . . . 52.01 110.886 -163.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.25 -172.08 44.47 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 123.544 0.592 . . . . 73.31 111.75 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 71.6 p -94.42 -11.39 29.91 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.368 0.667 . . . . 74.45 111.851 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.63 69.53 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.726 -0.67 . . . . 42.43 113.304 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -116.13 134.68 54.67 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.322 1.049 . . . . 71.43 109.445 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.19 136.35 35.93 Favored Pre-proline 0 N--CA 1.472 0.632 0 CA-C-O 118.161 -0.924 . . . . 52.43 109.108 168.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.12 -23.12 72.52 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.95 2.434 . . . . 65.51 113.273 -174.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -90.43 -17.85 26.46 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.059 0.944 . . . . 71.24 111.591 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.21 -119.23 6.2 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.713 -0.493 . . . . 74.52 112.184 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.0 tp -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.14 0.576 . . . . 75.42 110.52 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -72.55 -10.63 60.02 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.077 0.551 . . . . 71.53 112.466 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.35 118.36 5.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.293 0.637 . . . . 74.14 111.088 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.97 -25.14 61.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.282 0.989 . . . . 62.13 111.241 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -73.35 131.28 41.7 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 107.749 -1.204 . . . . 71.22 107.749 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 14.9 p -79.55 143.24 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 121.198 0.523 . . . . 64.22 110.785 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.571 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 19.7 m170 -89.03 140.52 29.07 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.281 -0.872 . . . . 72.13 108.784 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . 0.426 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 12.1 Cg_endo . . . . . 0 C--N 1.382 2.325 0 C-N-CA 123.589 2.859 . . . . 53.25 112.267 -176.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.791 0.329 . . . . 74.12 110.711 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.63 141.16 55.59 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 72.42 112.058 -175.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.514 ' SG ' ' CD2' ' X' ' 341' ' ' HIS . 98.9 m -80.32 133.36 35.94 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.02 -0.536 . . . . 74.44 111.274 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -63.6 -26.54 68.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.479 -1.237 . . . . 64.11 110.783 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -65.35 -40.51 93.7 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.727 0.811 . . . . 72.44 109.558 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -88.15 5.49 41.07 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.296 1.038 . . . . 75.13 111.804 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -87.78 157.09 19.12 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.699 0.8 . . . . 61.52 109.603 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.51 121.34 15.11 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.508 0.323 . . . . 72.25 110.434 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.59 26.15 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 116.108 -0.496 . . . . 52.01 111.989 -170.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.1 -177.39 48.97 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.941 -0.464 . . . . 73.31 111.941 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 3.8 m -89.56 -12.02 41.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.387 0.675 . . . . 74.45 111.352 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.53 -9.03 59.99 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.351 -0.841 . . . . 42.43 113.944 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -118.2 139.19 51.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.125 0.97 . . . . 71.43 109.668 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 86.5 m -92.04 134.77 28.1 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 108.601 -0.888 . . . . 52.43 108.601 167.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -57.34 -24.76 61.93 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.496 2.797 . . . . 65.51 114.617 -171.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -88.34 -8.58 54.88 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.655 0.782 . . . . 71.24 112.086 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.45 -127.53 10.75 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.741 -0.543 . . . . 74.52 111.741 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.35 -19.37 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.62 0.768 . . . . 75.42 110.464 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -75.39 1.22 14.46 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.017 0.927 . . . . 71.53 112.307 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 27.1 t -61.87 140.62 58.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.504 0.721 . . . . 74.14 111.875 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -56.77 -53.54 56.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.833 1.253 . . . . 62.13 111.12 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.43 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 85.6 m-85 -84.56 140.19 31.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 114.911 -1.04 . . . . 71.22 109.998 -178.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.04 141.79 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.679 0.791 . . . . 64.22 110.328 -178.162 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.514 ' CD2' ' SG ' ' X' ' 320' ' ' CYS . 11.0 m80 -92.7 151.5 41.04 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 123.478 0.711 . . . . 72.13 110.195 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo . . . . . 0 C--N 1.369 1.629 0 C-N-CA 122.78 2.32 . . . . 53.25 113.073 169.179 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . 0.413 ' HE3' ' HD1' ' X' ' 339' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.465 0.174 . . . . 74.12 111.436 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -72.73 155.25 40.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.879 -0.6 . . . . 72.42 110.556 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.514 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 85.3 m -60.74 145.43 49.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.234 0.613 . . . . 74.44 112.107 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -65.16 -26.33 68.12 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.769 -0.651 . . . . 64.11 110.498 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.16 -43.87 97.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.15 0.98 . . . . 72.44 109.993 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . 0.529 ' HE1' ' SG ' ' X' ' 331' ' ' CYS . 10.2 m-85 -90.82 6.38 44.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.409 1.084 . . . . 75.13 111.735 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.95 158.95 33.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.277 0.631 . . . . 61.52 110.711 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -69.67 112.91 6.46 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.052 0.541 . . . . 72.25 110.578 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.32 -0.24 43.7 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.613 -0.595 . . . . 52.01 111.613 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -84.03 -179.01 51.78 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.27 0.462 . . . . 73.31 112.453 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.6 p -80.33 -35.23 35.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.678 0.791 . . . . 74.45 110.565 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 92.95 0.41 68.52 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 114.588 -1.187 . . . . 42.43 112.742 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -110.89 119.11 38.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.745 0.818 . . . . 71.43 110.605 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . 0.529 ' SG ' ' HE1' ' X' ' 323' ' ' PHE . 65.3 m -82.08 137.93 46.13 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.431 0.692 . . . . 52.43 109.971 168.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.57 -27.81 53.44 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.1 2.533 . . . . 65.51 112.299 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -83.77 -17.67 40.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.557 0.743 . . . . 71.24 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.76 -131.51 12.06 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.087 -0.506 . . . . 74.52 112.647 -175.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.9 tp -72.94 -24.64 60.83 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.494 0.718 . . . . 75.42 110.256 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -72.06 -5.15 33.15 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.203 0.601 . . . . 71.53 112.059 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 10.7 t -60.41 119.4 7.91 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.534 0.334 . . . . 74.14 110.972 173.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.46 69.81 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.284 -0.871 . . . . 62.13 111.201 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.425 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 60.1 m-85 -69.05 115.14 8.0 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.626 -1.25 . . . . 71.22 107.626 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.53 138.9 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-O 121.512 0.673 . . . . 64.22 110.746 -172.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.514 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.5 m80 -90.35 150.58 43.22 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 114.573 -1.194 . . . . 72.13 109.424 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo . . . . . 0 C--N 1.376 2.009 0 C-N-CA 122.567 2.178 . . . . 53.25 112.856 177.63 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . 0.517 ' H ' ' HB ' ' X' ' 340' ' ' VAL . 23.1 tptm . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 108.144 -1.058 . . . . 74.12 108.144 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.6 121.11 10.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.783 1.233 . . . . 72.42 110.21 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.496 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.7 m -59.48 128.07 35.22 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.084 0.865 . . . . 74.44 111.347 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . 0.426 ' HZ3' ' HB3' ' X' ' 321' ' ' LYS . 0.2 OUTLIER -55.26 -26.6 41.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.879 0.871 . . . . 64.11 111.396 174.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . 0.562 ' ND2' ' HD3' ' X' ' 332' ' ' PRO . 9.6 m120 -63.68 -46.11 87.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.74 1.216 . . . . 72.44 110.389 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -87.06 -9.96 54.16 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.256 -0.884 . . . . 75.13 111.628 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.95 146.47 46.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.187 0.595 . . . . 61.52 109.921 170.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -63.08 120.74 12.02 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.888 0.475 . . . . 72.25 110.715 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.18 -9.8 29.05 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-N 115.914 -0.585 . . . . 52.01 112.077 -169.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.75 173.08 39.66 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.511 0.577 . . . . 73.31 112.417 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 41.0 p -70.97 -18.4 62.62 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.066 0.946 . . . . 74.45 112.14 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.77 -11.98 50.32 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.679 1.133 . . . . 42.43 112.759 -174.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -116.03 125.74 52.87 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.506 1.122 . . . . 71.43 109.628 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.85 126.05 92.29 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 108.313 -0.995 . . . . 52.43 108.313 162.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . 0.562 ' HD3' ' ND2' ' X' ' 322' ' ' ASN . 31.3 Cg_exo -60.87 -23.77 77.66 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 122.862 2.375 . . . . 65.51 112.096 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -84.42 -22.13 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.602 -1.181 . . . . 71.24 110.905 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.85 -107.87 1.97 Allowed Glycine 0 C--N 1.352 1.447 0 O-C-N 123.404 0.44 . . . . 74.52 113.813 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.56 -34.73 67.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.236 0.614 . . . . 75.42 109.742 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -77.78 9.62 3.36 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.498 1.119 . . . . 71.53 112.238 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 49.7 t -64.92 142.63 58.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.628 0.771 . . . . 74.14 110.861 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.18 -29.52 11.67 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.774 0.83 . . . . 62.13 110.632 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.06 142.77 32.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.498 0.719 . . . . 71.22 110.45 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . 0.517 ' HB ' ' H ' ' X' ' 318' ' ' LYS . 2.6 t -72.84 138.3 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.925 0.89 . . . . 64.22 111.409 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.496 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 19.8 m170 -90.02 146.38 34.97 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 108.587 -0.894 . . . . 72.13 108.587 174.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.492 1.394 0 C-N-CA 123.051 2.5 . . . . 53.25 112.978 -177.929 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 107.712 -1.218 . . . . 74.12 107.712 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 45.2 tp -59.88 129.66 42.95 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 122.79 0.436 . . . . 72.42 110.775 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 73.6 m -64.74 121.83 15.46 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.287 0.635 . . . . 74.44 111.286 177.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -63.0 -26.54 68.9 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.454 1.102 . . . . 64.11 110.392 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -58.66 -45.79 88.6 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.72 0.808 . . . . 72.44 109.61 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -90.03 6.84 40.58 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.862 -1.063 . . . . 75.13 112.268 -175.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -91.05 157.17 17.41 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.399 0.68 . . . . 61.52 109.515 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 124.83 21.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.678 0.791 . . . . 72.25 110.27 -176.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.03 40.32 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 115.968 -0.56 . . . . 52.01 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -81.03 175.44 54.79 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 123.673 0.278 . . . . 73.31 112.761 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 3.9 t -69.38 -26.87 64.87 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.924 0.89 . . . . 74.45 112.084 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.61 78.81 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.291 0.472 . . . . 42.43 113.108 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -115.48 123.81 49.51 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.99 0.916 . . . . 71.43 110.431 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 73.6 m -80.48 121.35 81.35 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 109.475 -0.565 . . . . 52.43 109.475 170.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -64.78 -20.57 64.91 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.813 2.342 . . . . 65.51 112.944 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -75.94 -24.54 55.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.997 0.919 . . . . 71.24 111.693 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 64.63 -110.37 3.43 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.572 0.545 . . . . 74.52 112.799 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.3 tp -67.02 -33.17 74.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.833 0.853 . . . . 75.42 110.847 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -83.57 6.54 20.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.58 0.752 . . . . 71.53 112.281 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.9 116.92 9.11 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 120.732 0.301 . . . . 74.14 110.711 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.85 -28.25 40.08 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 62.13 110.222 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.422 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 65.1 m-85 -76.61 128.08 34.02 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 115.005 -0.998 . . . . 71.22 108.894 176.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.43 142.25 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 C-N-CA 123.197 0.599 . . . . 64.22 110.603 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.523 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 17.3 m80 -91.23 144.81 30.4 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 123.965 0.906 . . . . 72.13 108.871 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 C--N 1.364 1.38 0 C-N-CA 122.389 2.059 . . . . 53.25 111.495 -176.031 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 108.032 -1.099 . . . . 74.12 108.032 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . 0.48 ' HB2' ' HD3' ' X' ' 342' ' ' PRO . 2.6 pt? -67.93 148.74 50.68 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.894 -1.048 . . . . 72.42 111.113 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.582 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 70.0 m -72.49 126.53 30.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.423 -0.808 . . . . 74.44 109.961 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -66.19 -21.04 66.3 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.751 0.657 . . . . 64.11 110.373 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -58.1 -47.27 83.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.574 1.15 . . . . 72.44 109.521 171.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.9 -22.18 27.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.178 0.991 . . . . 75.13 111.504 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.27 53.63 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 122.624 0.37 . . . . 61.52 110.228 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -55.17 127.76 30.73 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.085 0.954 . . . . 72.25 112.256 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 105.42 -20.51 37.18 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 112.07 -0.412 . . . . 52.01 112.07 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.23 -179.49 52.64 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 112.38 -0.288 . . . . 73.31 112.38 172.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 45.7 p -74.26 -29.91 61.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.51 0.724 . . . . 74.45 111.068 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -6.6 63.28 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 115.012 -0.994 . . . . 42.43 112.091 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.46 131.27 56.98 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.042 0.937 . . . . 71.43 111.75 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 90.6 m -89.16 136.62 30.07 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 123.429 0.692 . . . . 52.43 109.151 165.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.01 -32.06 84.68 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.943 2.429 . . . . 65.51 113.702 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -87.11 -8.92 56.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.444 0.697 . . . . 71.24 111.375 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 70.02 -125.72 16.03 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-O 119.36 -0.689 . . . . 74.52 111.632 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.1 tp -78.57 -15.62 58.35 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.591 0.695 . . . . 75.42 110.862 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -71.82 -4.63 29.04 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.105 0.562 . . . . 71.53 111.914 174.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.91 140.78 23.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.593 1.157 . . . . 74.14 112.773 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.09 -37.27 72.42 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.396 0.678 . . . . 62.13 111.027 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -87.73 145.16 26.26 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.305 -0.861 . . . . 71.22 110.127 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . 0.428 ' O ' ' HA ' ' X' ' 319' ' ' LEU . 53.2 t -79.08 143.1 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.735 0.814 . . . . 64.22 110.135 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.582 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.4 m170 -90.58 123.13 66.08 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.356 -0.979 . . . . 72.13 108.356 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' X' ' 319' ' ' LEU . 15.9 Cg_endo . . . . . 0 C--N 1.375 1.951 0 C-N-CA 123.024 2.483 . . . . 53.25 112.622 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 106.863 -1.532 . . . . 74.12 106.863 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 9.2 tt -70.81 126.85 30.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.454 0.702 . . . . 72.42 111.373 -164.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 320' ' ' CYS . . . . . 0.575 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 73.0 m -78.57 119.83 22.4 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 123.175 0.59 . . . . 74.44 110.213 174.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -60.56 -24.8 65.7 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.585 0.754 . . . . 64.11 110.626 171.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -58.12 -46.82 84.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.475 1.11 . . . . 72.44 110.32 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -88.13 -17.57 30.69 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.35 0.66 . . . . 75.13 112.27 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.57 143.66 57.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.449 -0.574 . . . . 61.52 109.449 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -60.73 131.56 51.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.826 0.85 . . . . 72.25 111.225 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.73 -6.05 60.35 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 111.104 -0.798 . . . . 52.01 111.104 -165.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.55 171.16 36.1 Favored Glycine 0 C--N 1.351 1.378 0 C-N-CA 123.747 0.689 . . . . 73.31 113.156 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 328' ' ' THR . . . . . 0.44 HG23 ' H ' ' X' ' 330' ' ' PHE . 8.6 t -81.62 -18.23 45.41 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.73 0.812 . . . . 74.45 111.299 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.74 74.34 Favored Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.412 0.529 . . . . 42.43 113.437 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 330' ' ' PHE . . . . . 0.44 ' H ' HG23 ' X' ' 328' ' ' THR . 83.0 m-85 -111.35 114.71 28.07 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.552 1.141 . . . . 71.43 109.828 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 67.9 m -81.83 137.55 47.1 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 109.003 -0.74 . . . . 52.43 109.003 166.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.47 -20.99 53.9 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.456 2.104 . . . . 65.51 113.034 -172.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 333' ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 70.9 m-85 -94.79 -18.04 21.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.032 0.933 . . . . 71.24 111.516 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 67.28 -107.23 1.94 Allowed Glycine 0 C--N 1.349 1.292 0 C-N-CA 123.018 0.342 . . . . 74.52 113.587 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.7 tp -75.02 -34.31 61.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.617 0.767 . . . . 75.42 110.531 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -86.96 20.12 2.77 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.883 -0.599 . . . . 71.53 111.953 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 337' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 49.2 t -67.47 117.26 9.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.941 0.496 . . . . 74.14 110.234 178.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.45 -15.14 62.32 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 62.13 112.055 -178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 339' ' ' PHE . . . . . 0.449 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 95.4 m-85 -94.68 117.2 29.75 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 108.063 -1.088 . . . . 71.22 108.063 171.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.39 133.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 64.22 109.79 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 341' ' ' HIS . . . . . 0.575 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 18.5 m80 -76.88 137.59 66.06 Favored Pre-proline 0 N--CA 1.471 0.58 0 CA-C-N 115.718 -0.673 . . . . 72.13 109.441 -173.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 C--N 1.369 1.631 0 C-N-CA 122.162 1.908 . . . . 53.25 111.632 176.247 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 108.951 -0.759 . . . . 74.42 108.951 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -142.45 132.68 24.76 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.433 0.693 . . . . 54.44 110.054 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -93.69 17.33 12.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.481 1.112 . . . . 73.52 110.375 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 13.7 t80 81.9 -26.7 0.14 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.316 1.446 . . . . 73.55 111.699 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -79.41 74.53 6.03 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 123.173 0.589 . . . . 74.54 109.935 170.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 1.1 p -141.39 63.33 1.44 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.084 -1.45 . . . . 53.43 107.084 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -95.03 87.5 4.94 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.299 -1.319 . . . . 74.12 108.79 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . 0.575 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 7.8 tt -62.21 120.06 10.21 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.589 -0.893 . . . . 72.42 108.589 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.52 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 38.1 m -56.58 141.76 41.95 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.552 1.158 . . . . 74.44 112.419 -173.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -60.98 -23.18 65.16 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.844 -0.617 . . . . 64.11 110.295 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.91 -49.42 68.06 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.869 0.868 . . . . 72.44 109.416 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -87.84 1.99 52.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.035 0.934 . . . . 75.13 111.854 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.02 133.36 44.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.954 -0.758 . . . . 61.52 108.954 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.11 117.76 7.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.415 0.686 . . . . 72.25 111.283 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.92 -8.49 27.51 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.046 -0.525 . . . . 52.01 112.251 -170.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -91.28 -153.41 29.48 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 123.634 0.635 . . . . 73.31 111.924 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 44.8 p -82.93 -47.84 11.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.396 0.678 . . . . 74.45 110.759 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.98 64.06 Favored Glycine 0 N--CA 1.469 0.839 0 CA-C-N 115.086 -0.961 . . . . 42.43 111.889 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -116.14 124.12 49.55 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.28 1.032 . . . . 71.43 110.093 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 94.9 m -82.77 126.06 74.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.968 -0.753 . . . . 52.43 108.968 166.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.3 -28.96 85.23 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.674 2.249 . . . . 65.51 112.553 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.88 -18.48 56.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.985 0.914 . . . . 71.24 111.713 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 68.0 -124.48 20.27 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.448 0.467 . . . . 74.52 113.395 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.2 -32.7 73.94 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.904 0.882 . . . . 75.42 110.622 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -72.73 -5.1 35.48 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.037 0.935 . . . . 71.53 112.277 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.74 122.58 14.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.913 0.885 . . . . 74.14 111.366 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.52 -32.33 73.87 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.127 0.892 . . . . 62.13 111.252 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.454 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 92.8 m-85 -75.47 125.42 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.666 -0.697 . . . . 71.22 109.211 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 57.2 t -76.51 129.55 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.225 1.01 . . . . 64.22 110.224 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.52 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 16.2 m80 -86.41 148.78 47.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 109.378 -0.601 . . . . 72.13 109.378 -177.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . 0.575 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 36.6 Cg_endo -65.79 -15.82 50.64 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 122.124 1.883 . . . . 53.25 112.071 173.656 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 13.7 m -71.53 -35.35 70.66 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.607 0.763 . . . . 63.11 110.97 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -64.46 96.13 0.16 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.25 0.62 . . . . 71.23 111.431 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -95.04 169.8 9.86 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.572 0.749 . . . . 73.42 110.052 170.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 CA--C 1.568 1.643 0 C-N-CA 123.354 0.662 . . . . 74.32 111.241 177.65 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 120.934 0.397 . . . . 74.42 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -151.15 89.33 1.51 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.185 0.994 . . . . 54.44 109.008 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -103.68 47.31 0.88 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.321 0.648 . . . . 73.52 110.229 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -78.96 -29.04 43.72 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.445 -0.343 . . . . 73.55 110.449 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.413 ' HA ' HG23 ' X' ' 340' ' ' VAL . 84.1 tttt -80.11 80.05 6.58 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.867 0.841 . . . . 74.54 110.243 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 10.2 t -169.98 -31.87 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.209 1.404 . . . . 53.43 108.885 -176.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -78.78 108.43 12.2 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.726 0.811 . . . . 74.12 110.704 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . 0.422 HD13 ' HD3' ' X' ' 342' ' ' PRO . 56.0 tp -64.44 144.29 57.29 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.897 -1.047 . . . . 72.42 109.938 172.118 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.408 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 74.3 m -58.98 132.03 52.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.012 0.525 . . . . 74.44 110.216 174.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -56.75 -25.7 55.62 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.898 . . . . 64.11 111.469 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -64.83 -44.67 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.661 1.184 . . . . 72.44 110.35 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . 0.484 ' HE2' ' SG ' ' X' ' 331' ' ' CYS . 39.0 m-85 -88.74 -17.05 30.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.812 0.845 . . . . 75.13 111.438 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.68 154.68 28.58 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.287 0.635 . . . . 61.52 110.467 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -62.07 126.2 26.5 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.6 0.76 . . . . 72.25 111.164 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.43 -12.86 56.94 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.79 -0.641 . . . . 52.01 112.125 -170.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.16 171.8 34.36 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.541 0.591 . . . . 73.31 112.395 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 13.1 t -85.79 -3.25 58.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.79 0.836 . . . . 74.45 112.432 -172.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 74.33 -0.64 53.6 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 123.598 0.618 . . . . 42.43 114.276 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -115.64 118.38 32.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.237 1.015 . . . . 71.43 110.611 -175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . 0.484 ' SG ' ' HE2' ' X' ' 323' ' ' PHE . 87.9 m -83.19 130.49 56.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.405 -0.961 . . . . 52.43 108.405 164.117 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -58.62 -30.6 92.6 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 123.363 2.709 . . . . 65.51 112.85 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.84 -16.39 41.5 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.6 0.76 . . . . 71.24 111.646 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.44 -122.45 26.83 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 119.73 -0.483 . . . . 74.52 112.902 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.59 -30.49 71.51 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.043 0.937 . . . . 75.42 111.282 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.43 2.97 34.01 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.321 -0.854 . . . . 71.53 111.731 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.79 132.24 51.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.623 0.769 . . . . 74.14 110.794 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.29 -12.36 59.09 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.9 0.88 . . . . 62.13 111.649 -172.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -104.74 160.47 14.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.43 0.692 . . . . 71.22 110.328 -179.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.413 HG23 ' HA ' ' X' ' 316' ' ' LYS . 18.9 t -82.36 132.11 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 114.926 -1.033 . . . . 64.22 111.356 -167.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.408 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.0 m170 -92.52 154.63 42.57 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 124.318 1.047 . . . . 72.13 109.13 174.436 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . 0.422 ' HD3' HD13 ' X' ' 319' ' ' LEU . 80.3 Cg_endo -74.84 -15.72 21.01 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.233 1.956 . . . . 53.25 111.241 -177.083 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 13.6 m -109.26 67.27 0.65 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.149 -1.056 . . . . 63.11 108.149 167.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.45 138.34 41.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 114.854 -1.066 . . . . 71.23 109.846 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -135.75 166.63 22.83 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.304 1.041 . . . . 73.42 110.849 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.25 1.131 0 N-CA-C 108.399 -0.963 . . . . 74.32 108.399 168.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.318 0.104 . . . . 74.42 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.3 68.06 9.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.941 0.897 . . . . 54.44 109.157 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -153.24 70.04 0.85 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.437 -0.949 . . . . 73.52 108.437 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -67.19 -38.62 85.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.425 -1.261 . . . . 73.55 109.764 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -63.56 84.33 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.421 1.488 . . . . 74.54 110.907 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 4.5 t -81.34 -44.34 17.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.215 0.606 . . . . 53.43 109.708 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -144.09 106.86 4.45 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 124.796 1.238 . . . . 74.12 107.986 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.53 136.29 58.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.426 1.079 . . . . 72.42 110.667 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.57 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 60.4 m -67.25 135.4 53.33 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.458 0.703 . . . . 74.44 109.661 171.011 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -64.37 -20.08 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.994 0.426 . . . . 64.11 110.393 171.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -64.28 -47.19 80.47 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 115.257 -0.883 . . . . 72.44 109.438 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -87.54 1.53 53.3 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.341 -0.845 . . . . 75.13 111.337 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -86.68 159.49 19.17 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.666 0.786 . . . . 61.52 109.926 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 6.9 mpt_? -71.41 121.95 19.5 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.321 0.648 . . . . 72.25 110.048 -177.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 112.04 -20.62 21.52 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 115.686 -0.688 . . . . 52.01 111.691 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.88 166.05 32.34 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 111.23 -0.748 . . . . 73.31 111.23 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 82.1 p -72.73 -28.03 62.41 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.662 0.785 . . . . 74.45 111.85 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 99.93 -6.35 58.44 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 115.536 -0.756 . . . . 42.43 112.468 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -114.75 116.78 29.2 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.644 0.778 . . . . 71.43 110.227 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 72.1 m -76.25 135.36 69.66 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-O 118.679 -0.677 . . . . 52.43 109.639 171.16 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.89 -28.65 78.42 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.825 2.35 . . . . 65.51 113.456 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -80.84 -29.19 35.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.8 0.84 . . . . 71.24 111.503 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.2 -123.18 7.73 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.416 -0.658 . . . . 74.52 112.051 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.03 -34.56 73.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.696 0.798 . . . . 75.42 110.353 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.48 2.89 8.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.206 1.003 . . . . 71.53 112.725 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.13 129.77 40.96 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 74.14 111.277 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.67 -37.96 65.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.221 1.008 . . . . 62.13 111.258 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -70.96 123.19 21.46 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.536 -0.913 . . . . 71.22 108.536 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.19 135.57 26.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 123.623 0.577 . . . . 64.22 110.386 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.57 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 29.2 m170 -82.13 152.85 68.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 114.861 -1.063 . . . . 72.13 110.138 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.22 -14.59 28.6 Favored 'Trans proline' 0 C--N 1.372 1.802 0 C-N-CA 122.593 2.195 . . . . 53.25 111.995 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 22.1 p -92.38 -12.31 32.63 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.391 1.076 . . . . 63.11 112.035 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.9 130.31 45.83 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.351 0.66 . . . . 71.23 109.864 -177.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -150.79 29.47 0.67 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.705 0.802 . . . . 73.42 110.092 -172.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 CA--C 1.557 1.238 0 C-N-CA 123.109 0.564 . . . . 74.32 110.574 -173.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 10.4 p30 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 112.062 0.393 . . . . 74.42 112.062 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . 0.574 ' HB2' ' HB3' ' X' ' 316' ' ' LYS . 0.9 OUTLIER -122.26 153.89 38.27 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.056 0.455 . . . . 54.44 111.319 -169.766 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' X' ' 343' ' ' THR . 25.4 tptp -138.27 88.93 2.35 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 106.574 -1.639 . . . . 73.52 106.574 172.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 58.7 t80 65.17 18.32 11.38 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 125.065 1.346 . . . . 73.55 111.425 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.574 ' HB3' ' HB2' ' X' ' 313' ' ' ASN . 24.9 ttpp -67.03 88.63 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-O 122.129 0.966 . . . . 74.54 111.094 -175.572 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 27.7 p -100.96 -54.88 2.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.143 1.377 . . . . 53.43 108.122 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -102.48 95.14 6.06 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.791 -1.095 . . . . 74.12 108.236 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 127.47 32.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 117.87 0.305 . . . . 72.42 110.516 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.551 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 80.7 m -69.38 125.92 28.16 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.602 0.564 . . . . 74.44 110.333 170.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -59.59 -27.41 66.26 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.113 0.965 . . . . 64.11 110.209 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.921 1.288 . . . . 72.44 110.624 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -91.82 -12.14 34.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.2 1.0 . . . . 75.13 111.405 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.69 158.92 29.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.359 0.664 . . . . 61.52 109.631 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -54.97 136.5 47.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.247 1.019 . . . . 72.25 112.132 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 94.71 -9.93 70.83 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.775 -0.648 . . . . 52.01 112.768 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -94.29 -167.72 37.11 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-N 116.945 0.372 . . . . 73.31 112.472 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 74.9 p -116.95 -21.81 8.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.657 0.783 . . . . 74.45 110.595 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 95.63 20.94 25.41 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.293 0.371 . . . . 42.43 112.348 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -114.79 109.83 18.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.565 0.746 . . . . 71.43 110.57 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 97.1 m -83.22 122.67 77.51 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 108.677 -0.86 . . . . 52.43 108.677 165.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.28 -12.45 31.94 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.487 2.124 . . . . 65.51 112.825 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -85.69 -34.05 21.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.73 0.812 . . . . 71.24 110.533 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 59.94 -100.66 0.21 Allowed Glycine 0 C--N 1.352 1.444 0 O-C-N 123.905 0.753 . . . . 74.52 113.304 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.39 -35.54 75.89 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.644 0.778 . . . . 75.42 110.531 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -84.29 12.04 7.34 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.659 -0.701 . . . . 71.53 112.146 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 48.0 t -75.06 119.03 18.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.634 0.774 . . . . 74.14 109.792 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.29 -38.04 89.0 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.486 0.66 . . . . 62.13 110.323 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -80.65 122.17 26.77 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.209 -1.36 . . . . 71.22 110.185 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 6.4 p -74.0 145.1 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 114.757 -1.11 . . . . 64.22 110.01 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.551 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 23.6 m170 -86.7 136.76 34.33 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 115.778 -0.646 . . . . 72.13 109.673 -174.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . 0.521 ' HB3' ' HD3' ' X' ' 316' ' ' LYS . 12.7 Cg_endo -52.04 -31.07 42.74 Favored 'Trans proline' 0 C--N 1.388 2.64 0 C-N-CA 124.244 3.296 . . . . 53.25 114.04 -170.215 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 343' ' ' THR . . . . . 0.49 ' HA ' ' HB3' ' X' ' 314' ' ' LYS . 87.0 m -141.45 81.14 1.76 Allowed 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.294 -1.373 . . . . 63.11 107.294 165.331 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.1 108.75 8.05 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.998 -0.741 . . . . 71.23 108.998 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -80.63 94.79 6.39 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.542 -0.54 . . . . 73.42 109.542 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.249 1.054 0 C-N-CA 124.319 1.047 . . . . 74.32 108.978 176.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 56.8 t30 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 119.117 -0.468 . . . . 74.42 109.954 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 48.4 t30 82.09 -50.67 0.22 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 126.147 1.779 . . . . 54.44 110.595 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -73.08 90.36 1.53 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.463 0.705 . . . . 73.52 110.658 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -124.33 23.87 8.18 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 124.245 1.018 . . . . 73.55 109.775 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -71.66 90.05 1.03 Allowed 'General case' 0 C--N 1.349 0.56 0 N-CA-C 108.306 -0.998 . . . . 74.54 108.306 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 2.3 m -89.85 59.43 4.6 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 122.31 1.053 . . . . 53.43 109.275 -174.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -116.88 56.91 0.79 Allowed 'General case' 0 C--N 1.343 0.299 0 CA-C-N 114.487 -1.233 . . . . 74.12 108.324 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . 0.434 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 8.4 tt -62.53 127.42 31.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.331 -1.359 . . . . 72.42 107.331 174.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.642 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 82.6 m -57.89 122.21 12.38 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.718 0.636 . . . . 74.44 111.281 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.98 -22.57 60.67 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.234 0.959 . . . . 64.11 111.261 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.74 -46.71 65.26 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.066 -0.97 . . . . 72.44 109.315 173.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . 0.526 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 15.9 m-85 -86.14 2.44 46.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.468 1.107 . . . . 75.13 111.62 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.92 144.69 56.5 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 122.931 0.492 . . . . 61.52 110.259 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -68.35 109.48 3.66 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.611 0.764 . . . . 72.25 108.963 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.44 11.2 24.01 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.152 -0.931 . . . . 52.01 111.611 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -112.42 -158.13 13.76 Favored Glycine 0 C--N 1.345 1.079 0 C-N-CA 123.384 0.516 . . . . 73.31 112.512 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 48.7 p -80.84 -46.47 15.27 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.751 0.786 . . . . 74.45 111.177 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.32 61.95 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 114.61 -1.177 . . . . 42.43 112.177 -177.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -115.96 126.2 53.55 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.277 1.031 . . . . 71.43 109.892 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.83 142.86 52.99 Favored Pre-proline 0 N--CA 1.477 0.923 0 N-CA-C 109.352 -0.61 . . . . 52.43 109.352 167.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -67.39 -12.61 36.43 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.679 2.253 . . . . 65.51 112.629 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.18 -23.37 22.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.863 0.865 . . . . 71.24 110.206 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.88 -132.09 12.6 Favored Glycine 0 C--N 1.353 1.481 0 CA-C-N 115.851 -0.613 . . . . 74.52 111.978 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 36.1 tp -74.83 -14.29 60.67 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.635 0.774 . . . . 75.42 110.145 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -87.11 17.07 4.46 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.182 0.993 . . . . 71.53 111.461 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.7 t -71.95 143.68 49.18 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.429 0.691 . . . . 74.14 112.095 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.47 -31.81 58.0 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.905 0.882 . . . . 62.13 111.367 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.629 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 70.9 m-85 -91.98 154.45 18.79 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.089 -0.959 . . . . 71.22 111.415 -169.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.44 125.4 27.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 124.738 1.215 . . . . 64.22 111.407 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.642 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 61.5 m170 -88.02 126.6 60.54 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.486 0.714 . . . . 72.13 109.874 174.666 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . 0.434 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 54.5 Cg_endo -67.62 -32.06 31.71 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.743 2.295 . . . . 53.25 110.84 174.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 39.3 p -66.23 -31.61 72.53 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.536 1.134 . . . . 63.11 110.631 177.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.35 100.01 3.65 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.989 -1.115 . . . . 71.23 107.989 171.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -80.52 149.18 30.09 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 123.65 0.78 . . . . 73.42 111.172 -171.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 CA--C 1.553 1.077 0 C-N-CA 123.498 0.719 . . . . 74.32 109.89 -178.909 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.577 -0.527 . . . . 74.42 109.577 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -138.46 97.0 3.26 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.009 0.523 . . . . 54.44 109.79 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -121.55 24.34 9.88 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.357 1.063 . . . . 73.52 110.906 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -159.6 72.63 0.53 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.505 0.669 . . . . 73.55 110.161 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.581 ' HZ1' ' HB3' ' X' ' 316' ' ' LYS . 0.1 OUTLIER -154.98 94.96 1.7 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.296 -1.002 . . . . 74.54 108.296 168.526 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 8.8 m 55.37 71.18 0.56 Allowed 'General case' 0 C--O 1.243 0.76 0 C-N-CA 124.698 1.199 . . . . 53.43 110.646 -174.664 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . 0.503 ' HB2' ' HA ' ' X' ' 339' ' ' PHE . 45.1 mtmt -75.98 88.52 2.94 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.326 -0.852 . . . . 74.12 109.293 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.94 117.44 3.44 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.099 0.874 . . . . 72.42 108.95 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.535 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 89.0 m -63.98 127.49 31.64 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.787 -0.642 . . . . 74.44 111.441 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -61.9 -24.69 67.1 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.272 0.983 . . . . 64.11 110.59 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.42 -46.54 82.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.998 0.919 . . . . 72.44 109.769 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . 0.462 ' HE2' ' SG ' ' X' ' 331' ' ' CYS . 31.7 m-85 -89.4 0.22 57.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.92 0.888 . . . . 75.13 111.71 -176.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.87 157.61 37.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.846 0.458 . . . . 61.52 110.084 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -68.02 120.29 14.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.63 0.772 . . . . 72.25 110.556 -177.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.08 -15.16 56.82 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 111.866 -0.494 . . . . 52.01 111.866 -171.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -85.06 174.53 49.5 Favored Glycine 0 C--N 1.346 1.093 0 C-N-CA 123.386 0.517 . . . . 73.31 112.16 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.2 p -70.58 -51.13 30.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.397 0.679 . . . . 74.45 111.715 -175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 101.14 4.25 53.9 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-N 115.346 -0.843 . . . . 42.43 111.67 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -113.69 121.22 43.45 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.974 0.909 . . . . 71.43 109.606 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . 0.462 ' SG ' ' HE2' ' X' ' 323' ' ' PHE . 87.2 m -85.22 142.89 38.61 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 122.971 0.509 . . . . 52.43 110.318 171.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.33 -23.91 58.4 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 123.093 2.528 . . . . 65.51 112.952 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -91.04 -20.41 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.465 0.706 . . . . 71.24 110.761 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 66.95 -109.02 2.68 Favored Glycine 0 C--N 1.354 1.554 0 O-C-N 123.538 0.524 . . . . 74.52 112.869 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.7 tp -75.6 -32.77 60.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.498 0.719 . . . . 75.42 110.281 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -76.46 7.96 3.94 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.255 0.622 . . . . 71.53 112.188 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . 0.43 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 45.5 t -66.53 119.37 11.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.642 0.777 . . . . 74.14 111.648 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.25 -26.46 67.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.222 1.009 . . . . 62.13 110.918 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.503 ' HA ' ' HB2' ' X' ' 318' ' ' LYS . 55.2 m-85 -81.58 122.01 27.04 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.231 1.013 . . . . 71.22 108.624 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.93 132.21 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.905 0.882 . . . . 64.22 111.067 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.806 ' HB2' ' HB3' ' X' ' 344' ' ' ASP . 10.4 m80 -88.04 118.77 70.02 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.892 -1.151 . . . . 72.13 107.892 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.41 -37.72 96.59 Favored 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.187 2.591 . . . . 53.25 114.056 -171.555 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 8.9 m -86.19 -33.19 20.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.471 0.708 . . . . 63.11 110.997 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . 0.806 ' HB3' ' HB2' ' X' ' 341' ' ' HIS . 19.4 t70 -85.1 93.12 8.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.578 0.704 . . . . 71.23 109.748 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -83.47 135.7 34.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.824 0.85 . . . . 73.42 111.382 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.254 1.312 0 N-CA-C 107.12 -1.437 . . . . 74.32 107.12 168.624 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.237 -0.283 . . . . 74.42 110.237 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -66.17 105.5 1.41 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.471 0.708 . . . . 54.44 109.308 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -111.12 57.55 0.62 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.745 0.818 . . . . 73.52 110.044 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -89.64 29.33 1.16 Allowed 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 115.459 -0.791 . . . . 73.55 108.95 159.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.495 ' HZ1' ' HB2' ' X' ' 316' ' ' LYS . 0.1 OUTLIER -172.75 143.38 1.26 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.214 1.406 . . . . 74.54 107.906 -167.207 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 98.5 m -147.71 -63.48 0.27 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 106.605 -1.628 . . . . 53.43 106.605 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -138.81 113.37 8.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.033 -1.099 . . . . 74.12 108.033 163.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.17 135.96 52.95 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.602 -0.888 . . . . 72.42 108.602 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.557 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.3 m -63.59 128.91 37.96 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.831 0.707 . . . . 74.44 111.08 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -59.14 -23.92 62.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.154 1.382 . . . . 64.11 111.342 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.53 -46.88 71.51 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.244 -0.889 . . . . 72.44 109.397 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -75.13 -25.13 58.18 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.771 0.828 . . . . 75.13 111.103 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.41 127.58 33.39 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.654 -0.869 . . . . 61.52 108.654 171.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.11 138.42 58.39 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.737 0.648 . . . . 72.25 110.346 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.0 -22.19 23.71 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 109.904 -1.278 . . . . 52.01 109.904 -162.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.28 -147.35 11.92 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 110.895 -0.882 . . . . 73.31 110.895 165.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 34.9 p -107.4 -21.01 13.08 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.899 0.88 . . . . 74.45 111.632 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 90.73 -12.69 67.93 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.669 1.128 . . . . 42.43 112.728 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -118.05 132.84 56.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.663 1.185 . . . . 71.43 110.021 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 77.3 m -81.92 121.72 79.41 Favored Pre-proline 0 N--CA 1.475 0.78 0 CA-C-O 118.22 -0.895 . . . . 52.43 109.245 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.22 -33.03 89.69 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.956 3.104 . . . . 65.51 113.629 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -78.05 -18.33 55.94 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.169 0.988 . . . . 71.24 111.121 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.17 -129.37 9.06 Favored Glycine 0 C--N 1.35 1.319 0 N-CA-C 110.856 -0.897 . . . . 74.52 110.856 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.02 -21.4 64.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.075 0.95 . . . . 75.42 111.42 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -69.83 -12.18 61.43 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.14 0.976 . . . . 71.53 112.532 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.82 127.36 28.12 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.341 1.056 . . . . 74.14 112.368 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.18 -33.58 71.12 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.85 1.26 . . . . 62.13 111.813 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -80.36 131.19 35.59 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.527 -0.916 . . . . 71.22 108.527 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.07 142.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 O-C-N 123.678 0.611 . . . . 64.22 110.106 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.557 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 24.9 m80 -90.93 142.52 27.57 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.62 0.768 . . . . 72.13 109.992 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -68.92 -25.55 32.48 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.322 2.014 . . . . 53.25 111.476 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 10.0 m -96.21 89.09 5.0 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 108.704 -0.85 . . . . 63.11 108.704 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -140.54 93.44 2.62 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 106.977 -1.49 . . . . 71.23 106.977 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -115.66 17.87 16.03 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.813 0.845 . . . . 73.42 110.763 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 CA--C 1.547 0.863 0 C-N-CA 124.409 1.083 . . . . 74.32 109.923 -175.707 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.204 0.526 . . . . 74.42 109.835 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.35 156.68 18.55 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.754 0.822 . . . . 54.44 109.728 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 37.35 0.65 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.755 0.822 . . . . 73.52 110.028 174.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -55.81 -67.28 0.3 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.191 1.396 . . . . 73.55 112.011 -171.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.494 ' HG3' ' HB ' ' X' ' 340' ' ' VAL . 21.5 tptm -96.64 -25.77 15.45 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.653 0.381 . . . . 74.54 110.107 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 29.3 m -63.34 86.03 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.777 0.831 . . . . 53.43 111.12 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -147.89 106.1 3.75 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 106.585 -1.635 . . . . 74.12 106.585 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.96 134.04 46.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.736 0.414 . . . . 72.42 110.602 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.561 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 60.1 m -69.12 128.54 37.0 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.22 -0.9 . . . . 74.44 110.635 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -25.35 68.17 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.244 0.545 . . . . 64.11 109.547 168.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.9 -45.26 86.66 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 114.672 -1.149 . . . . 72.44 110.906 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.59 9.5 18.32 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.967 0.728 . . . . 75.13 112.967 -172.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.42 121.43 15.75 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.721 -0.844 . . . . 61.52 108.721 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.76 125.28 23.83 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.539 0.736 . . . . 72.25 110.772 -177.008 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.91 -19.55 30.21 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.356 -0.838 . . . . 52.01 111.654 -168.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.49 -158.83 34.99 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 123.473 0.558 . . . . 73.31 112.575 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 9.7 t -66.88 -36.23 81.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.509 0.724 . . . . 74.45 111.374 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 78.09 -9.48 32.29 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.544 -0.753 . . . . 42.43 114.791 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -117.11 137.08 52.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.652 0.781 . . . . 71.43 110.199 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 84.6 m -90.9 147.19 35.37 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.919 -0.562 . . . . 52.43 110.477 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.85 -26.27 67.45 Favored 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.621 2.214 . . . . 65.51 112.749 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -94.5 -23.54 17.66 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.605 0.762 . . . . 71.24 110.601 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 62.74 -103.62 0.66 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 123.764 0.665 . . . . 74.52 112.962 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.64 -32.31 73.91 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.163 0.985 . . . . 75.42 110.642 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -92.14 17.55 9.38 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.063 -0.972 . . . . 71.53 111.919 -173.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 50.4 t -80.35 121.3 25.52 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.596 0.759 . . . . 74.14 110.934 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -23.72 60.43 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.3 0.64 . . . . 62.13 110.849 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.494 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 98.5 m-85 -71.27 112.6 7.54 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.701 -1.222 . . . . 71.22 107.701 165.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.494 ' HB ' ' HG3' ' X' ' 316' ' ' LYS . 6.0 p -75.71 144.81 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.131 0.491 . . . . 64.22 110.199 -174.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.561 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 21.7 m170 -90.08 139.47 27.28 Favored Pre-proline 0 N--CA 1.471 0.576 0 C-N-CA 123.689 0.796 . . . . 72.13 110.035 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.73 -24.02 25.7 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.321 2.014 . . . . 53.25 112.422 -173.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 38.4 p -69.52 -28.4 66.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.129 0.972 . . . . 63.11 112.03 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -157.02 98.65 1.77 Allowed 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.068 0.937 . . . . 71.23 108.984 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -91.81 102.95 15.55 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.564 -0.744 . . . . 73.42 110.242 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.251 1.155 0 N-CA-C 108.055 -1.091 . . . . 74.32 108.055 168.77 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.593 0.235 . . . . 74.42 110.441 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -135.02 129.95 34.92 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.628 1.171 . . . . 54.44 108.215 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -87.37 59.13 5.36 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.624 0.77 . . . . 73.52 110.763 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -110.02 -9.51 14.74 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.26 0.624 . . . . 73.55 110.714 174.385 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.439 ' HD2' ' H ' ' X' ' 316' ' ' LYS . 0.0 OUTLIER -75.62 -9.28 58.45 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.989 0.516 . . . . 74.54 110.13 169.077 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 8.8 t -115.16 159.38 20.99 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.433 1.093 . . . . 53.43 109.426 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . 0.531 ' HG3' ' HA ' ' X' ' 339' ' ' PHE . 8.4 ptpp? -142.35 84.5 1.87 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.909 -0.775 . . . . 74.12 108.909 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.94 124.78 20.45 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.39 -0.823 . . . . 72.42 110.899 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 91.6 m -62.77 120.87 12.09 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.643 0.777 . . . . 74.44 111.465 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -57.08 -27.66 61.93 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.837 0.855 . . . . 64.11 111.011 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -64.84 -45.24 86.95 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.181 0.992 . . . . 72.44 110.195 176.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . 0.5 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 9.9 m-85 -81.49 -14.85 56.49 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.628 -0.714 . . . . 75.13 111.581 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.55 156.32 36.95 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.215 0.606 . . . . 61.52 110.411 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -66.29 127.2 31.31 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.402 0.681 . . . . 72.25 110.784 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.58 24.62 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 110.831 -0.907 . . . . 52.01 110.831 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.38 168.93 31.26 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.67 -0.572 . . . . 73.31 111.67 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 328' ' ' THR . . . . . 0.4 HG22 ' H ' ' X' ' 330' ' ' PHE . 10.2 t -84.18 -14.33 50.42 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.451 0.7 . . . . 74.45 111.359 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 89.28 -0.56 81.38 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 116.34 -0.391 . . . . 42.43 113.356 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . 0.4 ' H ' HG22 ' X' ' 328' ' ' THR . 81.8 t80 -113.71 129.01 56.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.551 1.141 . . . . 71.43 109.774 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 90.0 m -89.44 133.21 35.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 123.189 0.596 . . . . 52.43 109.477 169.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.02 -27.5 84.78 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 122.569 2.18 . . . . 65.51 112.122 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -79.72 -30.5 40.93 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.869 -1.06 . . . . 71.24 110.864 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 65.55 -112.65 5.14 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.422 0.451 . . . . 74.52 113.11 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 52.8 tp -69.72 -32.07 70.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.532 0.733 . . . . 75.42 110.164 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -77.1 -1.77 30.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.761 0.824 . . . . 71.53 111.666 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 49.5 t -68.16 119.68 13.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.755 0.822 . . . . 74.14 110.782 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.44 -31.46 69.79 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.815 0.846 . . . . 62.13 109.932 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.539 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 79.7 m-85 -67.31 126.62 29.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.71 -0.677 . . . . 71.22 110.187 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.412 ' H ' ' HG3' ' X' ' 318' ' ' LYS . 84.4 t -67.91 130.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.89 1.276 . . . . 64.22 111.315 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.665 ' HB2' ' HB3' ' X' ' 344' ' ' ASP . 20.5 m170 -89.6 118.89 69.43 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 108.859 -0.793 . . . . 72.13 108.859 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.21 -18.24 60.57 Favored 'Trans proline' 0 C--N 1.372 1.768 0 C-N-CA 123.343 2.695 . . . . 53.25 113.486 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 13.8 t -99.96 1.13 42.34 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.922 0.889 . . . . 63.11 110.942 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . 0.665 ' HB3' ' HB2' ' X' ' 341' ' ' HIS . 28.8 t70 -124.64 161.1 26.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.446 0.699 . . . . 71.23 110.831 -173.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . 0.468 ' HZ3' ' HB2' ' X' ' 345' ' ' LYS . 0.1 OUTLIER -66.64 133.7 50.78 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.96 0.904 . . . . 73.42 111.26 -178.392 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 123.845 0.858 . . . . 74.32 109.002 176.258 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.361 -0.237 . . . . 74.42 110.361 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -141.37 164.25 30.76 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.077 0.951 . . . . 54.44 109.067 171.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 59.21 26.19 14.92 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.352 1.061 . . . . 73.52 112.457 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -64.72 -34.03 77.36 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.648 0.779 . . . . 73.55 112.275 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.41 -42.27 71.85 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.859 0.464 . . . . 74.54 110.996 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 317' ' ' THR . . . . . 0.542 ' HA ' ' HB ' ' X' ' 340' ' ' VAL . 59.5 p -71.42 87.89 0.88 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 121.616 0.722 . . . . 53.43 110.706 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -112.66 96.44 5.98 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.588 -1.264 . . . . 74.12 107.588 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.42 118.06 4.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.898 0.879 . . . . 72.42 110.013 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.519 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.9 m -63.15 124.61 21.62 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 122.953 0.501 . . . . 74.44 111.531 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -59.08 -28.64 66.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.797 0.839 . . . . 64.11 111.189 172.44 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.26 -42.0 80.24 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.542 0.737 . . . . 72.44 110.152 174.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . 0.479 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 11.1 m-85 -90.2 2.81 54.98 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.534 0.733 . . . . 75.13 111.948 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.58 159.78 29.02 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.266 0.626 . . . . 61.52 110.221 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -66.27 109.8 2.8 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.411 -0.589 . . . . 72.25 109.411 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.85 14.45 17.3 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.776 -0.647 . . . . 52.01 112.224 -174.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -99.36 -178.35 31.38 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 116.98 0.39 . . . . 73.31 112.41 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 32.3 p -71.09 -39.97 71.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.391 0.676 . . . . 74.45 110.375 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.7 -8.18 61.58 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 114.483 -1.235 . . . . 42.43 112.341 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -114.54 119.62 37.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.4 0.68 . . . . 71.43 110.213 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 68.6 m -77.53 124.0 86.72 Favored Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 109.338 -0.616 . . . . 52.43 109.338 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.05 -23.82 76.05 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.576 2.184 . . . . 65.51 113.095 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -68.32 -21.01 64.78 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.16 0.984 . . . . 71.24 111.158 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.08 -127.48 11.04 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 116.215 -0.448 . . . . 74.52 112.454 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.2 tp -72.94 -26.56 61.43 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.305 0.642 . . . . 75.42 110.449 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -77.91 4.23 12.54 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.83 0.852 . . . . 71.53 112.314 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.4 t -65.02 116.45 6.45 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.77 0.319 . . . . 74.14 110.832 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.11 -34.18 59.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.47 0.708 . . . . 62.13 111.085 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.506 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 78.3 m-85 -60.19 109.57 1.01 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.151 -0.931 . . . . 71.22 109.517 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.542 ' HB ' ' HA ' ' X' ' 317' ' ' THR . 89.6 t -64.76 118.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.853 0.72 . . . . 64.22 110.528 -174.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.519 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.8 m170 -68.24 148.19 98.27 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 114.824 -1.08 . . . . 72.13 109.906 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.72 -27.81 85.82 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.484 2.123 . . . . 53.25 112.594 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 9.0 t -86.78 -17.01 34.58 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.988 0.915 . . . . 63.11 111.412 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -87.6 149.55 24.24 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.633 0.773 . . . . 71.23 111.623 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.94 -0.4 0.61 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.226 -0.897 . . . . 73.42 111.062 -178.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 CA--C 1.557 1.232 0 CA-C-O 117.485 -1.245 . . . . 74.32 110.215 -173.369 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 110.021 -0.363 . . . . 74.42 110.021 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -69.26 -40.09 78.04 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.271 0.628 . . . . 54.44 109.825 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . 0.53 ' HZ3' ' HB3' ' X' ' 314' ' ' LYS . 8.0 mtpm? -89.91 35.43 0.84 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.139 0.976 . . . . 73.52 110.882 176.327 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -50.59 -46.37 57.83 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.72 1.208 . . . . 73.55 113.06 -172.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.547 ' HD3' ' H ' ' X' ' 316' ' ' LYS . 0.2 OUTLIER -70.39 -47.58 60.2 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.905 -0.589 . . . . 74.54 110.697 -179.218 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 317' ' ' THR . . . . . 0.42 HG21 ' HG2' ' X' ' 316' ' ' LYS . 32.2 p -79.52 87.86 5.1 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.518 0.727 . . . . 53.43 111.236 -173.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -103.98 111.89 24.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.54 0.736 . . . . 74.12 109.341 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.16 125.04 21.99 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.748 0.419 . . . . 72.42 110.165 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.642 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 81.7 m -65.22 127.11 30.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.891 0.744 . . . . 74.44 111.733 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.37 -19.46 65.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.086 0.954 . . . . 64.11 110.634 170.362 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -69.31 -44.92 70.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.574 1.15 . . . . 72.44 109.414 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.86 -13.21 57.93 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.919 -1.037 . . . . 75.13 111.25 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.71 120.43 17.3 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.252 -0.647 . . . . 61.52 109.252 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -64.74 146.5 54.69 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.447 0.699 . . . . 72.25 112.467 -171.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.35 4.18 35.2 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 114.459 -1.246 . . . . 52.01 111.487 -165.692 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -134.51 -147.64 5.62 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 123.441 0.543 . . . . 73.31 112.071 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 62.2 p -76.22 -37.16 58.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.456 0.702 . . . . 74.45 111.852 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 84.92 -7.38 74.9 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.587 -0.733 . . . . 42.43 111.899 -170.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -114.88 133.01 56.33 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.265 1.026 . . . . 71.43 110.376 -176.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 93.8 m -82.87 125.07 76.19 Favored Pre-proline 0 N--CA 1.469 0.52 0 N-CA-C 108.745 -0.835 . . . . 52.43 108.745 169.368 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.1 -22.43 67.58 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.583 2.189 . . . . 65.51 112.335 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . 0.436 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 58.1 m-85 -75.84 -27.74 57.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.892 0.877 . . . . 71.24 110.935 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 71.96 -117.94 6.69 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 115.644 -0.707 . . . . 74.52 112.174 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.61 -22.39 60.97 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.759 0.824 . . . . 75.42 110.424 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -88.43 19.74 3.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.855 0.862 . . . . 71.53 110.902 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . 0.436 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 46.7 t -65.42 135.01 54.7 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.96 0.904 . . . . 74.14 111.75 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.04 -44.27 85.11 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.643 -0.708 . . . . 62.13 109.707 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.642 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 34.5 m-85 -85.5 139.6 31.34 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.185 -0.916 . . . . 71.22 110.039 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 69.1 t -79.04 132.56 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.486 0.714 . . . . 64.22 111.262 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.629 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.0 m170 -81.71 134.87 49.82 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.397 -0.819 . . . . 72.13 108.99 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -64.63 -17.91 61.05 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.654 2.236 . . . . 53.25 112.116 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 26.8 m -128.8 62.66 1.48 Allowed 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 107.576 -1.268 . . . . 63.11 107.576 171.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.29 90.81 0.23 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.142 -0.935 . . . . 71.23 110.546 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -137.32 150.24 47.62 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.052 0.941 . . . . 73.42 109.571 -177.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 108.797 -0.816 . . . . 74.32 108.797 178.645 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.295 -0.632 . . . . 74.42 109.295 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -83.86 71.62 10.45 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.742 0.782 . . . . 54.44 109.631 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -118.92 25.39 10.24 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.356 -0.838 . . . . 73.52 109.98 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -71.18 -46.26 61.74 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.414 0.685 . . . . 73.55 109.771 -176.425 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.25 -23.61 51.23 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.688 -0.687 . . . . 74.54 110.136 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 317' ' ' THR . . . . . 0.818 ' HA ' ' HB ' ' X' ' 340' ' ' VAL . 24.9 m -76.56 81.68 3.23 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 121.503 0.668 . . . . 53.43 110.028 178.619 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -83.58 104.51 13.77 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 106.054 -1.832 . . . . 74.12 106.054 165.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 38.1 tp -59.66 124.19 19.31 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.874 0.734 . . . . 72.42 109.432 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.451 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 59.4 m -64.43 131.24 46.6 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.4 1.063 . . . . 74.44 109.92 176.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -62.41 -24.33 67.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.77 0.828 . . . . 64.11 110.792 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.57 -44.24 74.87 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.299 1.04 . . . . 72.44 110.046 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -81.26 -6.05 58.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.03 0.932 . . . . 75.13 112.15 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.93 129.63 40.5 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.594 -0.891 . . . . 61.52 108.594 169.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -57.2 127.61 32.86 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.9 0.75 . . . . 72.25 111.903 -166.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.19 1.46 58.19 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.819 -0.628 . . . . 52.01 112.743 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.51 -146.07 10.64 Favored Glycine 0 C--N 1.357 1.695 0 N-CA-C 112.169 -0.372 . . . . 73.31 112.169 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 67.3 p -84.48 -41.94 16.08 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.568 0.699 . . . . 74.45 109.685 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.39 -8.31 75.06 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 114.987 -1.006 . . . . 42.43 113.102 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -115.52 123.54 48.77 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.545 1.138 . . . . 71.43 108.871 176.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.69 130.32 68.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 109.031 -0.729 . . . . 52.43 109.031 168.105 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.65 -24.98 48.24 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.999 2.466 . . . . 65.51 113.59 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -70.95 -44.67 65.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.781 0.832 . . . . 71.24 110.032 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.55 -121.45 6.24 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.763 -0.653 . . . . 74.52 111.972 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.2 tp -74.96 -28.06 60.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.972 0.909 . . . . 75.42 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -84.23 14.69 4.08 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 71.53 112.019 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.48 116.58 11.99 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.763 -0.829 . . . . 74.14 108.763 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.41 -34.14 76.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.731 0.644 . . . . 62.13 110.349 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.439 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 66.1 m-85 -64.68 104.78 0.86 Allowed 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.2 0.937 . . . . 71.22 108.537 177.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.818 ' HB ' ' HA ' ' X' ' 317' ' ' THR . 96.3 t -66.95 128.16 29.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 115.189 -0.914 . . . . 64.22 110.745 -172.082 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.451 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 24.5 m170 -80.75 150.14 68.91 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 114.633 -1.167 . . . . 72.13 109.999 -174.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -77.12 -2.18 12.39 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.716 2.277 . . . . 53.25 112.809 -174.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 24.6 p -93.81 32.21 1.48 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.754 1.222 . . . . 63.11 110.941 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.96 118.35 6.15 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.333 1.053 . . . . 71.23 110.483 175.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -134.34 174.8 10.12 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.119 0.968 . . . . 73.42 109.212 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 CA--C 1.554 1.119 0 CA-C-O 118.971 -0.538 . . . . 74.32 110.272 174.483 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 33.5 t30 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 110.223 -0.288 . . . . 74.42 110.223 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . 0.585 HD22 ' HD2' ' X' ' 316' ' ' LYS . 37.6 t30 63.35 99.47 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.23 1.412 . . . . 54.44 112.433 173.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.02 -5.17 5.61 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.59 0.756 . . . . 73.52 110.577 167.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . 0.409 ' O ' ' HG3' ' X' ' 318' ' ' LYS . 13.5 p90 -68.36 -21.5 64.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.726 0.41 . . . . 73.55 110.671 -174.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.585 ' HD2' HD22 ' X' ' 313' ' ' ASN . 91.5 mttt -74.03 20.24 0.11 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.391 0.886 . . . . 74.54 113.391 -176.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 35.0 p -94.43 33.72 1.38 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.257 0.623 . . . . 53.43 110.211 166.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . 0.687 ' HB2' ' H ' ' X' ' 340' ' ' VAL . 26.2 mtpp -77.15 62.84 2.3 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 108.806 -0.812 . . . . 74.12 108.806 172.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.99 113.55 3.16 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.399 0.679 . . . . 72.42 110.161 -169.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.552 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 58.1 m -63.16 131.82 49.76 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 124.317 1.01 . . . . 74.44 110.955 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -58.09 -27.66 63.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.286 0.991 . . . . 64.11 111.091 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.42 -44.55 78.49 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.255 0.622 . . . . 72.44 110.298 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . 0.468 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 23.5 m-85 -81.44 -4.58 56.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.815 0.846 . . . . 75.13 111.616 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.89 148.92 43.92 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.839 -0.43 . . . . 61.52 109.839 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -61.54 125.29 23.26 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 123.879 0.737 . . . . 72.25 110.976 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.38 -9.26 49.2 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.765 -0.652 . . . . 52.01 112.26 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.76 -173.0 41.06 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 123.314 0.483 . . . . 73.31 112.106 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 76.5 p -76.21 -33.81 59.25 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.968 0.507 . . . . 74.45 110.622 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . 0.468 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 91.34 -1.16 76.07 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 114.975 -1.011 . . . . 42.43 112.168 -173.286 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.08 122.55 45.48 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.333 1.053 . . . . 71.43 110.901 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 95.2 m -81.79 141.48 47.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.15 0.58 . . . . 52.43 109.505 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.03 -33.56 91.72 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.878 2.385 . . . . 65.51 112.629 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -82.24 -18.33 42.89 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.633 -0.712 . . . . 71.24 111.383 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 72.48 -123.25 9.02 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-O 119.728 -0.485 . . . . 74.52 111.905 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.5 tp -73.8 -19.35 60.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.104 0.562 . . . . 75.42 110.891 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -72.66 -14.02 61.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.811 0.445 . . . . 71.53 111.958 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 37.6 t -58.83 119.71 7.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.84 0.856 . . . . 74.14 110.749 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.27 -36.1 82.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.38 0.672 . . . . 62.13 110.663 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.487 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 47.3 m-85 -69.87 121.59 17.6 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.511 -0.768 . . . . 71.22 109.166 177.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.687 ' H ' ' HB2' ' X' ' 318' ' ' LYS . 25.8 t -80.31 136.5 23.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 123.554 0.741 . . . . 64.22 110.633 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.552 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.4 m170 -86.78 132.34 42.54 Favored Pre-proline 0 C--O 1.239 0.509 0 CA-C-N 115.063 -0.971 . . . . 72.13 110.462 -169.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -57.29 -30.61 88.21 Favored 'Trans proline' 0 C--N 1.384 2.415 0 C-N-CA 123.141 2.561 . . . . 53.25 110.812 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 10.7 m -82.47 75.39 9.38 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.782 -1.099 . . . . 63.11 108.302 166.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.22 98.72 9.53 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.637 -0.71 . . . . 71.23 109.602 -177.173 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -86.98 124.67 33.43 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.196 0.598 . . . . 73.42 110.122 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 CA--C 1.553 1.066 0 N-CA-C 107.589 -1.263 . . . . 74.32 107.589 -176.871 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.347 0.118 . . . . 74.42 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -92.39 113.79 26.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.373 0.669 . . . . 54.44 110.732 -171.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . 0.451 ' HB3' ' HB ' ' X' ' 317' ' ' THR . 0.0 OUTLIER -109.6 51.9 0.74 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.944 0.897 . . . . 73.52 108.772 170.763 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -58.2 -54.71 43.87 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.374 -1.285 . . . . 73.55 111.928 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.517 ' HA ' ' HE3' ' X' ' 316' ' ' LYS . 0.1 OUTLIER -87.78 -13.96 40.89 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.768 0.427 . . . . 74.54 110.58 -178.913 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' X' X ' 317' ' ' THR . . . . . 0.451 ' HB ' ' HB3' ' X' ' 314' ' ' LYS . 5.4 m -92.94 46.79 1.24 Allowed 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 108.909 -0.775 . . . . 53.43 108.909 175.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -84.52 73.82 10.48 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 108.399 -0.963 . . . . 74.12 108.399 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . 0.426 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 7.7 tt -70.13 129.38 39.25 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.297 -1.32 . . . . 72.42 109.748 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 36.2 m -58.82 125.85 25.21 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.73 0.812 . . . . 74.44 110.812 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -62.06 -22.33 65.67 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.158 0.583 . . . . 64.11 110.105 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -63.03 -42.92 99.9 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.397 1.079 . . . . 72.44 110.213 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -84.98 -17.68 36.87 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.948 0.899 . . . . 75.13 111.335 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -76.65 144.26 39.59 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.062 -0.718 . . . . 61.52 109.062 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -62.56 141.29 58.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.649 0.78 . . . . 72.25 111.184 -174.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 100.56 -19.81 50.93 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.886 -0.886 . . . . 52.01 110.886 -163.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.25 -172.08 44.47 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 123.544 0.592 . . . . 73.31 111.75 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 71.6 p -94.42 -11.39 29.91 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.368 0.667 . . . . 74.45 111.851 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.63 69.53 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.726 -0.67 . . . . 42.43 113.304 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -116.13 134.68 54.67 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.322 1.049 . . . . 71.43 109.445 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.19 136.35 35.93 Favored Pre-proline 0 N--CA 1.472 0.632 0 CA-C-O 118.161 -0.924 . . . . 52.43 109.108 168.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.12 -23.12 72.52 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.95 2.434 . . . . 65.51 113.273 -174.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -90.43 -17.85 26.46 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.059 0.944 . . . . 71.24 111.591 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.21 -119.23 6.2 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.713 -0.493 . . . . 74.52 112.184 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.0 tp -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.14 0.576 . . . . 75.42 110.52 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -72.55 -10.63 60.02 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.077 0.551 . . . . 71.53 112.466 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.35 118.36 5.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.293 0.637 . . . . 74.14 111.088 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.97 -25.14 61.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.282 0.989 . . . . 62.13 111.241 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -73.35 131.28 41.7 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 107.749 -1.204 . . . . 71.22 107.749 169.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.412 HG12 ' O ' ' X' ' 316' ' ' LYS . 14.9 p -79.55 143.24 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 121.198 0.523 . . . . 64.22 110.785 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.571 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 19.7 m170 -89.03 140.52 29.07 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.281 -0.872 . . . . 72.13 108.784 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . 0.426 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 12.1 Cg_endo -54.18 -38.22 87.82 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 123.589 2.859 . . . . 53.25 112.267 -176.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 93.9 m -119.87 91.57 3.58 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.163 -1.421 . . . . 63.11 107.163 164.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.59 152.37 20.88 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.026 -0.534 . . . . 71.23 110.486 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -165.65 -177.43 4.36 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.75 1.22 . . . . 73.42 107.786 170.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 C--O 1.25 1.085 0 N-CA-C 107.176 -1.416 . . . . 74.32 107.176 163.116 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 37.8 p30 . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.586 -0.153 . . . . 74.42 110.586 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -127.08 157.6 39.23 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.532 0.733 . . . . 54.44 110.508 177.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . 0.47 ' HA ' ' OG1' ' X' ' 317' ' ' THR . 95.0 mttt -89.28 53.87 2.77 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.731 0.812 . . . . 73.52 112.375 -170.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -111.41 -52.79 2.76 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.394 -0.965 . . . . 73.55 108.394 170.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.593 ' HA ' HG13 ' X' ' 340' ' ' VAL . 21.3 pttm -93.75 23.15 4.94 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.786 -0.643 . . . . 74.54 111.939 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 317' ' ' THR . . . . . 0.47 ' OG1' ' HA ' ' X' ' 314' ' ' LYS . 60.8 p -110.31 2.75 19.34 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.038 0.535 . . . . 53.43 110.915 169.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -78.47 72.08 4.97 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.602 0.761 . . . . 74.12 110.711 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.63 141.16 55.59 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 72.42 112.058 -175.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.47 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 98.9 m -80.32 133.36 35.94 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.02 -0.536 . . . . 74.44 111.274 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -63.6 -26.54 68.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.479 -1.237 . . . . 64.11 110.783 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -65.35 -40.51 93.7 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.727 0.811 . . . . 72.44 109.558 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -88.15 5.49 41.07 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.296 1.038 . . . . 75.13 111.804 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -87.78 157.09 19.12 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.699 0.8 . . . . 61.52 109.603 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.51 121.34 15.11 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.508 0.323 . . . . 72.25 110.434 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.59 26.15 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 116.108 -0.496 . . . . 52.01 111.989 -170.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.1 -177.39 48.97 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.941 -0.464 . . . . 73.31 111.941 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 3.8 m -89.56 -12.02 41.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.387 0.675 . . . . 74.45 111.352 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.53 -9.03 59.99 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.351 -0.841 . . . . 42.43 113.944 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -118.2 139.19 51.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.125 0.97 . . . . 71.43 109.668 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 86.5 m -92.04 134.77 28.1 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 108.601 -0.888 . . . . 52.43 108.601 167.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -57.34 -24.76 61.93 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.496 2.797 . . . . 65.51 114.617 -171.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -88.34 -8.58 54.88 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.655 0.782 . . . . 71.24 112.086 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.45 -127.53 10.75 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.741 -0.543 . . . . 74.52 111.741 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.35 -19.37 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.62 0.768 . . . . 75.42 110.464 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -75.39 1.22 14.46 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.017 0.927 . . . . 71.53 112.307 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 27.1 t -61.87 140.62 58.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.504 0.721 . . . . 74.14 111.875 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -56.77 -53.54 56.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.833 1.253 . . . . 62.13 111.12 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.43 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 85.6 m-85 -84.56 140.19 31.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 114.911 -1.04 . . . . 71.22 109.998 -178.439 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.593 HG13 ' HA ' ' X' ' 316' ' ' LYS . 7.6 p -78.04 141.79 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.679 0.791 . . . . 64.22 110.328 -178.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.47 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 11.0 m80 -92.7 151.5 41.04 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 123.478 0.711 . . . . 72.13 110.195 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.07 -19.45 56.25 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.78 2.32 . . . . 53.25 113.073 169.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 65.8 p -73.96 -26.16 60.33 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.439 0.696 . . . . 63.11 111.246 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -79.3 136.34 37.0 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.664 0.786 . . . . 71.23 109.778 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . 0.477 ' HB3' ' HZ1' ' X' ' 345' ' ' LYS . 6.5 ttpm? -148.71 17.0 1.0 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.183 0.993 . . . . 73.42 108.368 175.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 CA--C 1.554 1.115 0 C-N-CA 124.783 1.233 . . . . 74.32 110.161 -174.938 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.101 -0.333 . . . . 74.42 110.101 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -149.51 174.84 12.06 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.751 0.82 . . . . 54.44 109.386 175.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . 0.45 ' HE2' ' HA ' ' X' ' 314' ' ' LYS . 0.2 OUTLIER -141.85 18.79 2.15 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.388 0.675 . . . . 73.52 111.005 176.652 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -58.78 -33.29 70.15 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.563 0.745 . . . . 73.55 111.892 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.729 ' HA ' HG11 ' X' ' 340' ' ' VAL . 0.0 OUTLIER -85.7 91.47 8.31 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.339 0.59 . . . . 74.54 109.599 176.858 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 317' ' ' THR . . . . . 0.522 HG22 ' HG3' ' X' ' 318' ' ' LYS . 10.2 t -117.12 -37.91 3.47 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.474 -0.785 . . . . 53.43 110.452 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . 0.522 ' HG3' HG22 ' X' ' 317' ' ' THR . 0.0 OUTLIER -163.18 149.33 12.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.98 0.512 . . . . 74.12 111.436 178.667 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -72.73 155.25 40.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.879 -0.6 . . . . 72.42 110.556 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.514 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 85.3 m -60.74 145.43 49.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.234 0.613 . . . . 74.44 112.107 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -65.16 -26.33 68.12 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.769 -0.651 . . . . 64.11 110.498 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.16 -43.87 97.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.15 0.98 . . . . 72.44 109.993 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . 0.529 ' HE1' ' SG ' ' X' ' 331' ' ' CYS . 10.2 m-85 -90.82 6.38 44.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.409 1.084 . . . . 75.13 111.735 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.95 158.95 33.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.277 0.631 . . . . 61.52 110.711 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -69.67 112.91 6.46 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.052 0.541 . . . . 72.25 110.578 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.32 -0.24 43.7 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.613 -0.595 . . . . 52.01 111.613 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -84.03 -179.01 51.78 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.27 0.462 . . . . 73.31 112.453 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.6 p -80.33 -35.23 35.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.678 0.791 . . . . 74.45 110.565 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 92.95 0.41 68.52 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 114.588 -1.187 . . . . 42.43 112.742 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -110.89 119.11 38.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.745 0.818 . . . . 71.43 110.605 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . 0.529 ' SG ' ' HE1' ' X' ' 323' ' ' PHE . 65.3 m -82.08 137.93 46.13 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.431 0.692 . . . . 52.43 109.971 168.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.57 -27.81 53.44 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.1 2.533 . . . . 65.51 112.299 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -83.77 -17.67 40.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.557 0.743 . . . . 71.24 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.76 -131.51 12.06 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.087 -0.506 . . . . 74.52 112.647 -175.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.9 tp -72.94 -24.64 60.83 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.494 0.718 . . . . 75.42 110.256 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -72.06 -5.15 33.15 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.203 0.601 . . . . 71.53 112.059 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . 0.425 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 10.7 t -60.41 119.4 7.91 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.534 0.334 . . . . 74.14 110.972 173.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.46 69.81 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.284 -0.871 . . . . 62.13 111.201 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.425 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 60.1 m-85 -69.05 115.14 8.0 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.626 -1.25 . . . . 71.22 107.626 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.729 HG11 ' HA ' ' X' ' 316' ' ' LYS . 11.3 p -66.53 138.9 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-O 121.512 0.673 . . . . 64.22 110.746 -172.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.514 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.5 m80 -90.35 150.58 43.22 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 114.573 -1.194 . . . . 72.13 109.424 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -68.5 -4.22 12.58 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.567 2.178 . . . . 53.25 112.856 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 20.7 p -82.14 -3.42 54.82 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.239 1.015 . . . . 63.11 112.068 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.58 133.72 55.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.575 0.75 . . . . 71.23 111.826 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -123.86 18.45 9.38 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.195 1.398 . . . . 73.42 110.396 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . 0.485 ' HB3' ' HZ2' ' X' ' 316' ' ' LYS . 35.1 tt0 . . . . . 0 CA--C 1.553 1.083 0 CA-C-O 118.948 -0.548 . . . . 74.32 110.396 -176.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 108.231 -1.026 . . . . 74.42 108.231 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -75.48 81.7 2.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.784 0.833 . . . . 54.44 109.798 -176.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -143.04 139.32 30.49 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.685 0.794 . . . . 73.52 110.759 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -116.83 -15.1 10.71 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.073 1.349 . . . . 73.55 110.023 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -55.84 -61.49 2.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.805 1.242 . . . . 74.54 112.614 -170.766 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 317' ' ' THR . . . . . 0.42 ' HA ' HG23 ' X' ' 340' ' ' VAL . 40.7 p -67.56 92.95 0.33 Allowed 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.793 0.806 . . . . 53.43 111.779 -174.866 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . 0.517 ' H ' ' HB ' ' X' ' 340' ' ' VAL . 23.1 tptm -150.23 114.13 5.06 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.374 1.07 . . . . 74.12 108.144 177.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.6 121.11 10.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.783 1.233 . . . . 72.42 110.21 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.488 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.7 m -59.48 128.07 35.22 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.084 0.865 . . . . 74.44 111.347 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . 0.426 ' HZ3' ' HB3' ' X' ' 321' ' ' LYS . 0.2 OUTLIER -55.26 -26.6 41.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.879 0.871 . . . . 64.11 111.396 174.929 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . 0.562 ' ND2' ' HD3' ' X' ' 332' ' ' PRO . 9.6 m120 -63.68 -46.11 87.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.74 1.216 . . . . 72.44 110.389 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -87.06 -9.96 54.16 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.256 -0.884 . . . . 75.13 111.628 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.95 146.47 46.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.187 0.595 . . . . 61.52 109.921 170.501 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -63.08 120.74 12.02 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.888 0.475 . . . . 72.25 110.715 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.18 -9.8 29.05 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-N 115.914 -0.585 . . . . 52.01 112.077 -169.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.75 173.08 39.66 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.511 0.577 . . . . 73.31 112.417 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 41.0 p -70.97 -18.4 62.62 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.066 0.946 . . . . 74.45 112.14 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.77 -11.98 50.32 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.679 1.133 . . . . 42.43 112.759 -174.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -116.03 125.74 52.87 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.506 1.122 . . . . 71.43 109.628 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.85 126.05 92.29 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 108.313 -0.995 . . . . 52.43 108.313 162.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . 0.562 ' HD3' ' ND2' ' X' ' 322' ' ' ASN . 31.3 Cg_exo -60.87 -23.77 77.66 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 122.862 2.375 . . . . 65.51 112.096 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -84.42 -22.13 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.602 -1.181 . . . . 71.24 110.905 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.85 -107.87 1.97 Allowed Glycine 0 C--N 1.352 1.447 0 O-C-N 123.404 0.44 . . . . 74.52 113.813 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.56 -34.73 67.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.236 0.614 . . . . 75.42 109.742 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -77.78 9.62 3.36 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.498 1.119 . . . . 71.53 112.238 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 49.7 t -64.92 142.63 58.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.628 0.771 . . . . 74.14 110.861 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.18 -29.52 11.67 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.774 0.83 . . . . 62.13 110.632 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.06 142.77 32.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.498 0.719 . . . . 71.22 110.45 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.604 HG12 ' HA ' ' X' ' 345' ' ' LYS . 2.6 t -72.84 138.3 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.925 0.89 . . . . 64.22 111.409 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.678 ' HB2' ' HB3' ' X' ' 344' ' ' ASP . 19.8 m170 -90.02 146.38 34.97 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 108.587 -0.894 . . . . 72.13 108.587 174.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -60.98 -20.82 69.12 Favored 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 123.051 2.5 . . . . 53.25 112.978 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 14.5 t -113.56 1.86 15.13 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.53 0.732 . . . . 63.11 111.684 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . 0.678 ' HB3' ' HB2' ' X' ' 341' ' ' HIS . 23.7 t70 -147.69 87.5 1.64 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 107.914 -1.143 . . . . 71.23 107.914 -174.614 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . 0.604 ' HA ' HG12 ' X' ' 340' ' ' VAL . 49.4 mtpt -80.92 -82.38 0.12 Allowed 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.272 -0.876 . . . . 73.42 110.393 -173.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--O 1.247 0.97 0 N-CA-C 108.894 -0.78 . . . . 74.32 108.894 -178.485 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.37 -0.604 . . . . 74.42 109.37 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -82.25 -20.36 37.76 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.064 0.546 . . . . 54.44 110.367 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt 64.26 93.84 0.06 Allowed 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.994 1.317 . . . . 73.52 110.189 -175.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -147.11 -63.3 0.28 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.446 0.698 . . . . 73.55 110.894 -170.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -103.43 13.26 33.97 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.422 0.689 . . . . 74.54 110.142 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 22.2 p -84.56 69.39 10.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.303 1.041 . . . . 53.43 111.481 -170.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -98.83 104.69 16.76 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.712 -1.218 . . . . 74.12 107.712 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 45.2 tp -59.88 129.66 42.95 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 122.79 0.436 . . . . 72.42 110.775 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.523 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 73.6 m -64.74 121.83 15.46 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.287 0.635 . . . . 74.44 111.286 177.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -63.0 -26.54 68.9 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.454 1.102 . . . . 64.11 110.392 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -58.66 -45.79 88.6 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.72 0.808 . . . . 72.44 109.61 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -90.03 6.84 40.58 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.862 -1.063 . . . . 75.13 112.268 -175.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -91.05 157.17 17.41 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.399 0.68 . . . . 61.52 109.515 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 124.83 21.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.678 0.791 . . . . 72.25 110.27 -176.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.03 40.32 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 115.968 -0.56 . . . . 52.01 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -81.03 175.44 54.79 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 123.673 0.278 . . . . 73.31 112.761 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 3.9 t -69.38 -26.87 64.87 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.924 0.89 . . . . 74.45 112.084 178.209 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.61 78.81 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.291 0.472 . . . . 42.43 113.108 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -115.48 123.81 49.51 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.99 0.916 . . . . 71.43 110.431 179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 73.6 m -80.48 121.35 81.35 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 109.475 -0.565 . . . . 52.43 109.475 170.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -64.78 -20.57 64.91 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.813 2.342 . . . . 65.51 112.944 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -75.94 -24.54 55.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.997 0.919 . . . . 71.24 111.693 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 64.63 -110.37 3.43 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.572 0.545 . . . . 74.52 112.799 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.3 tp -67.02 -33.17 74.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.833 0.853 . . . . 75.42 110.847 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -83.57 6.54 20.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.58 0.752 . . . . 71.53 112.281 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.9 116.92 9.11 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 120.732 0.301 . . . . 74.14 110.711 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.85 -28.25 40.08 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 62.13 110.222 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.422 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 65.1 m-85 -76.61 128.08 34.02 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 115.005 -0.998 . . . . 71.22 108.894 176.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.43 142.25 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 C-N-CA 123.197 0.599 . . . . 64.22 110.603 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.523 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 17.3 m80 -91.23 144.81 30.4 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 123.965 0.906 . . . . 72.13 108.871 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.47 -13.08 20.56 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 122.389 2.059 . . . . 53.25 111.495 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 32.4 p -91.04 -29.86 17.11 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.832 1.253 . . . . 63.11 110.185 176.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -91.65 -178.89 5.2 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.685 0.794 . . . . 71.23 110.32 174.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -141.31 156.69 45.82 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.896 0.479 . . . . 73.42 109.756 -175.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 . . . . . 0 C--O 1.246 0.869 0 C-N-CA 123.737 0.815 . . . . 74.32 109.097 -179.783 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 121.054 0.454 . . . . 74.42 109.805 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -107.62 110.64 22.57 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.113 -0.494 . . . . 54.44 110.114 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -113.89 16.73 18.3 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 108.445 -0.946 . . . . 73.52 108.445 170.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -79.1 -54.74 5.7 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.136 0.975 . . . . 73.55 110.833 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . 0.53 ' HB3' HG23 ' X' ' 340' ' ' VAL . 68.2 mttm -86.46 82.69 7.86 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.372 0.669 . . . . 74.54 109.227 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 15.5 p -134.83 12.4 3.67 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.721 0.809 . . . . 53.43 111.356 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -70.69 83.78 0.63 Allowed 'General case' 0 C--N 1.358 0.953 0 N-CA-C 108.032 -1.099 . . . . 74.12 108.032 169.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . 0.48 ' HB2' ' HD3' ' X' ' 342' ' ' PRO . 2.6 pt? -67.93 148.74 50.68 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.894 -1.048 . . . . 72.42 111.113 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.574 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 70.0 m -72.49 126.53 30.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.423 -0.808 . . . . 74.44 109.961 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -66.19 -21.04 66.3 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.751 0.657 . . . . 64.11 110.373 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -58.1 -47.27 83.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.574 1.15 . . . . 72.44 109.521 171.072 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.9 -22.18 27.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.178 0.991 . . . . 75.13 111.504 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.27 53.63 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 122.624 0.37 . . . . 61.52 110.228 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -55.17 127.76 30.73 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.085 0.954 . . . . 72.25 112.256 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 105.42 -20.51 37.18 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 112.07 -0.412 . . . . 52.01 112.07 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.23 -179.49 52.64 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 112.38 -0.288 . . . . 73.31 112.38 172.7 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 45.7 p -74.26 -29.91 61.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.51 0.724 . . . . 74.45 111.068 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -6.6 63.28 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 115.012 -0.994 . . . . 42.43 112.091 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.46 131.27 56.98 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.042 0.937 . . . . 71.43 111.75 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 90.6 m -89.16 136.62 30.07 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 123.429 0.692 . . . . 52.43 109.151 165.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.01 -32.06 84.68 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.943 2.429 . . . . 65.51 113.702 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -87.11 -8.92 56.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.444 0.697 . . . . 71.24 111.375 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 70.02 -125.72 16.03 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-O 119.36 -0.689 . . . . 74.52 111.632 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.1 tp -78.57 -15.62 58.35 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.591 0.695 . . . . 75.42 110.862 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -71.82 -4.63 29.04 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.105 0.562 . . . . 71.53 111.914 174.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.91 140.78 23.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.593 1.157 . . . . 74.14 112.773 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.09 -37.27 72.42 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.396 0.678 . . . . 62.13 111.027 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -87.73 145.16 26.26 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.305 -0.861 . . . . 71.22 110.127 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . 0.53 HG23 ' HB3' ' X' ' 316' ' ' LYS . 53.2 t -79.08 143.1 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.735 0.814 . . . . 64.22 110.135 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.574 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.4 m170 -90.58 123.13 66.08 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.356 -0.979 . . . . 72.13 108.356 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . 0.48 ' HD3' ' HB2' ' X' ' 319' ' ' LEU . 15.9 Cg_endo -56.92 -23.02 49.03 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 123.024 2.483 . . . . 53.25 112.622 177.282 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 31.5 p -75.85 -32.14 59.62 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.245 1.018 . . . . 63.11 111.94 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -108.5 106.06 15.98 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.555 0.742 . . . . 71.23 109.721 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -128.83 152.18 48.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.898 0.879 . . . . 73.42 109.847 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 CA--C 1.559 1.308 0 C-N-CA 123.461 0.704 . . . . 74.32 109.879 170.843 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.673 -0.491 . . . . 74.42 109.673 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -113.96 122.9 48.36 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.436 1.094 . . . . 54.44 108.883 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.17 27.08 6.75 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.188 0.595 . . . . 73.52 110.273 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -68.8 -35.95 77.66 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.382 0.673 . . . . 73.55 110.874 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -65.99 -45.22 82.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.27 1.028 . . . . 74.54 110.558 176.269 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 61.7 p -78.51 113.93 16.97 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.614 -0.721 . . . . 53.43 111.011 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -74.03 82.41 1.74 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.863 -1.532 . . . . 74.12 106.863 171.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 9.2 tt -70.81 126.85 30.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.454 0.702 . . . . 72.42 111.373 -164.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 320' ' ' CYS . . . . . 0.555 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 73.0 m -78.57 119.83 22.4 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 123.175 0.59 . . . . 74.44 110.213 174.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -60.56 -24.8 65.7 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.585 0.754 . . . . 64.11 110.626 171.752 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -58.12 -46.82 84.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.475 1.11 . . . . 72.44 110.32 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -88.13 -17.57 30.69 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.35 0.66 . . . . 75.13 112.27 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.57 143.66 57.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.449 -0.574 . . . . 61.52 109.449 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -60.73 131.56 51.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.826 0.85 . . . . 72.25 111.225 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.73 -6.05 60.35 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 111.104 -0.798 . . . . 52.01 111.104 -165.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.55 171.16 36.1 Favored Glycine 0 C--N 1.351 1.378 0 C-N-CA 123.747 0.689 . . . . 73.31 113.156 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 328' ' ' THR . . . . . 0.44 HG23 ' H ' ' X' ' 330' ' ' PHE . 8.6 t -81.62 -18.23 45.41 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.73 0.812 . . . . 74.45 111.299 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.74 74.34 Favored Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.412 0.529 . . . . 42.43 113.437 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 330' ' ' PHE . . . . . 0.44 ' H ' HG23 ' X' ' 328' ' ' THR . 83.0 m-85 -111.35 114.71 28.07 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.552 1.141 . . . . 71.43 109.828 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 67.9 m -81.83 137.55 47.1 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 109.003 -0.74 . . . . 52.43 109.003 166.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.47 -20.99 53.9 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.456 2.104 . . . . 65.51 113.034 -172.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 333' ' ' TYR . . . . . 0.417 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 70.9 m-85 -94.79 -18.04 21.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.032 0.933 . . . . 71.24 111.516 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 67.28 -107.23 1.94 Allowed Glycine 0 C--N 1.349 1.292 0 C-N-CA 123.018 0.342 . . . . 74.52 113.587 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.7 tp -75.02 -34.31 61.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.617 0.767 . . . . 75.42 110.531 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -86.96 20.12 2.77 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.883 -0.599 . . . . 71.53 111.953 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 337' ' ' CYS . . . . . 0.417 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 49.2 t -67.47 117.26 9.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.941 0.496 . . . . 74.14 110.234 178.433 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.45 -15.14 62.32 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 62.13 112.055 -178.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 339' ' ' PHE . . . . . 0.449 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 95.4 m-85 -94.68 117.2 29.75 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 108.063 -1.088 . . . . 71.22 108.063 171.128 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.39 133.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 64.22 109.79 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 341' ' ' HIS . . . . . 0.555 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 18.5 m80 -76.88 137.59 66.06 Favored Pre-proline 0 N--CA 1.471 0.58 0 CA-C-N 115.718 -0.673 . . . . 72.13 109.441 -173.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.72 -41.32 78.73 Favored 'Trans proline' 0 C--N 1.369 1.631 0 C-N-CA 122.162 1.908 . . . . 53.25 111.632 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 6.3 m -111.22 76.33 0.97 Allowed 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 108.051 -1.092 . . . . 63.11 108.051 170.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -95.79 117.28 30.25 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.981 0.912 . . . . 71.23 109.837 -177.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 345' ' ' LYS . . . . . 0.502 ' HB3' ' HZ1' ' X' ' 345' ' ' LYS . 8.7 mtpm? 56.22 21.67 5.48 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.41 1.084 . . . . 73.42 112.422 175.032 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.549 0.922 0 C-N-CA 124.716 1.206 . . . . 74.32 108.972 -174.865 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 108.79 -0.819 . . . . 74.12 108.79 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 319' ' ' LEU . . . . . 0.566 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 7.8 tt -62.21 120.06 10.21 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.589 -0.893 . . . . 64.21 108.589 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.537 ' SG ' ' CD2' ' X' ' 341' ' ' HIS . 38.1 m -56.58 141.76 41.95 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.552 1.158 . . . . 74.44 112.419 -173.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -60.98 -23.18 65.16 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.844 -0.617 . . . . 61.45 110.295 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.91 -49.42 68.06 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.869 0.868 . . . . 62.33 109.416 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.402 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 39.4 m-85 -87.84 1.99 52.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.035 0.934 . . . . 64.41 111.854 -176.228 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.02 133.36 44.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.954 -0.758 . . . . 61.52 108.954 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.11 117.76 7.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.415 0.686 . . . . 72.25 111.283 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.92 -8.49 27.51 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.046 -0.525 . . . . 31.14 112.251 -170.311 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -91.28 -153.41 29.48 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 123.634 0.635 . . . . 73.31 111.924 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 44.8 p -82.93 -47.84 11.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.396 0.678 . . . . 74.45 110.759 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.98 64.06 Favored Glycine 0 N--CA 1.469 0.839 0 CA-C-N 115.086 -0.961 . . . . 42.43 111.889 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -116.14 124.12 49.55 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.28 1.032 . . . . 71.43 110.093 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.402 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 94.9 m -82.77 126.06 74.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.968 -0.753 . . . . 52.24 108.968 166.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.3 -28.96 85.23 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.674 2.249 . . . . 65.51 112.553 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.88 -18.48 56.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.985 0.914 . . . . 63.51 111.713 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 68.0 -124.48 20.27 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.448 0.467 . . . . 74.52 113.395 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.2 -32.7 73.94 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.904 0.882 . . . . 75.42 110.622 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -72.73 -5.1 35.48 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.037 0.935 . . . . 71.53 112.277 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.74 122.58 14.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.913 0.885 . . . . 74.14 111.366 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.52 -32.33 73.87 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.127 0.892 . . . . 62.13 111.252 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.466 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 92.8 m-85 -75.47 125.42 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.666 -0.697 . . . . 62.15 109.211 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 57.2 t -76.51 129.55 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.225 1.01 . . . . 64.22 110.224 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 341' ' ' HIS . . . . . 0.537 ' CD2' ' SG ' ' X' ' 320' ' ' CYS . 16.2 m80 -86.41 148.78 47.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 109.378 -0.601 . . . . 64.31 109.378 -177.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 342' ' ' PRO . . . . . 0.566 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 36.6 Cg_endo . . . . . 0 C--N 1.368 1.563 0 C-N-CA 122.124 1.883 . . . . 53.25 112.071 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 57.0 mttp . . . . . 0 C--O 1.243 0.711 0 CA-C-O 120.943 0.401 . . . . 74.12 110.704 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 319' ' ' LEU . . . . . 0.405 HD11 ' HD3' ' X' ' 342' ' ' PRO . 56.0 tp -64.44 144.29 57.29 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.897 -1.047 . . . . 64.21 109.938 172.118 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' X' ' 341' ' ' HIS . 74.3 m -58.98 132.03 52.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.012 0.525 . . . . 74.44 110.216 174.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -56.75 -25.7 55.62 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.898 . . . . 61.45 111.469 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -64.83 -44.67 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.661 1.184 . . . . 62.33 110.35 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.59 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 39.0 m-85 -88.74 -17.05 30.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.812 0.845 . . . . 64.41 111.438 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.68 154.68 28.58 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.287 0.635 . . . . 61.52 110.467 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -62.07 126.2 26.5 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.6 0.76 . . . . 72.25 111.164 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.43 -12.86 56.94 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.79 -0.641 . . . . 31.14 112.125 -170.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.16 171.8 34.36 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.541 0.591 . . . . 73.31 112.395 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 328' ' ' THR . . . . . 0.476 HG23 ' H ' ' X' ' 330' ' ' PHE . 13.1 t -85.79 -3.25 58.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.79 0.836 . . . . 74.45 112.432 -172.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 74.33 -0.64 53.6 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 123.598 0.618 . . . . 42.43 114.276 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 330' ' ' PHE . . . . . 0.476 ' H ' HG23 ' X' ' 328' ' ' THR . 79.7 t80 -115.64 118.38 32.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.237 1.015 . . . . 71.43 110.611 -175.736 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.59 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 87.9 m -83.19 130.49 56.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.405 -0.961 . . . . 52.24 108.405 164.117 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -58.62 -30.6 92.6 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 123.363 2.709 . . . . 65.51 112.85 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.84 -16.39 41.5 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.6 0.76 . . . . 63.51 111.646 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.44 -122.45 26.83 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 119.73 -0.483 . . . . 74.52 112.902 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.59 -30.49 71.51 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.043 0.937 . . . . 75.42 111.282 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.43 2.97 34.01 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.321 -0.854 . . . . 71.53 111.731 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.79 132.24 51.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.623 0.769 . . . . 74.14 110.794 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.29 -12.36 59.09 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.9 0.88 . . . . 62.13 111.649 -172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.407 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 88.2 m-85 -104.74 160.47 14.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.43 0.692 . . . . 62.15 110.328 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 18.9 t -82.36 132.11 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 114.926 -1.033 . . . . 64.22 111.356 -167.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 341' ' ' HIS . . . . . 0.443 ' CD2' ' SG ' ' X' ' 320' ' ' CYS . 22.0 m170 -92.52 154.63 42.57 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 124.318 1.047 . . . . 64.31 109.13 174.436 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 342' ' ' PRO . . . . . 0.405 ' HD3' HD11 ' X' ' 319' ' ' LEU . 80.3 Cg_endo . . . . . 0 C--N 1.379 2.161 0 C-N-CA 122.233 1.956 . . . . 53.25 111.241 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm . . . . . 0 C--O 1.244 0.796 0 N-CA-C 107.986 -1.116 . . . . 74.12 107.986 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.53 136.29 58.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.426 1.079 . . . . 64.21 110.667 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 320' ' ' CYS . . . . . . . . . . . . . 60.4 m -67.25 135.4 53.33 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.458 0.703 . . . . 74.44 109.661 171.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -64.37 -20.08 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.994 0.426 . . . . 61.45 110.393 171.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -64.28 -47.19 80.47 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 115.257 -0.883 . . . . 62.33 109.438 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.619 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 22.5 m-85 -87.54 1.53 53.3 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.341 -0.845 . . . . 64.41 111.337 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -86.68 159.49 19.17 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.666 0.786 . . . . 61.52 109.926 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 325' ' ' ARG . . . . . 0.4 ' N ' ' HD2' ' X' ' 325' ' ' ARG . 6.9 mpt_? -71.41 121.95 19.5 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.321 0.648 . . . . 72.25 110.048 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 112.04 -20.62 21.52 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 115.686 -0.688 . . . . 31.14 111.691 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.88 166.05 32.34 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 111.23 -0.748 . . . . 73.31 111.23 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 82.1 p -72.73 -28.03 62.41 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.662 0.785 . . . . 74.45 111.85 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 99.93 -6.35 58.44 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 115.536 -0.756 . . . . 42.43 112.468 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -114.75 116.78 29.2 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.644 0.778 . . . . 71.43 110.227 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.619 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 72.1 m -76.25 135.36 69.66 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-O 118.679 -0.677 . . . . 52.24 109.639 171.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.89 -28.65 78.42 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.825 2.35 . . . . 65.51 113.456 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -80.84 -29.19 35.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.8 0.84 . . . . 63.51 111.503 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.2 -123.18 7.73 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.416 -0.658 . . . . 74.52 112.051 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.03 -34.56 73.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.696 0.798 . . . . 75.42 110.353 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.48 2.89 8.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.206 1.003 . . . . 71.53 112.725 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.13 129.77 40.96 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 74.14 111.277 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.67 -37.96 65.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.221 1.008 . . . . 62.13 111.258 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -70.96 123.19 21.46 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.536 -0.913 . . . . 62.15 108.536 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.19 135.57 26.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 123.623 0.577 . . . . 64.22 110.386 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -82.13 152.85 68.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 114.861 -1.063 . . . . 64.31 110.138 -177.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--N 1.372 1.802 0 C-N-CA 122.593 2.195 . . . . 53.25 111.995 -178.074 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 59.8 mttm . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 108.236 -1.024 . . . . 74.12 108.236 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 127.47 32.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 117.87 0.305 . . . . 64.21 110.516 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 320' ' ' CYS . . . . . . . . . . . . . 80.7 m -69.38 125.92 28.16 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.602 0.564 . . . . 74.44 110.333 170.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -59.59 -27.41 66.26 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.113 0.965 . . . . 61.45 110.209 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.921 1.288 . . . . 62.33 110.624 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -91.82 -12.14 34.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.2 1.0 . . . . 64.41 111.405 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.69 158.92 29.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.359 0.664 . . . . 61.52 109.631 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -54.97 136.5 47.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.247 1.019 . . . . 72.25 112.132 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 94.71 -9.93 70.83 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.775 -0.648 . . . . 31.14 112.768 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -94.29 -167.72 37.11 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-N 116.945 0.372 . . . . 73.31 112.472 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 74.9 p -116.95 -21.81 8.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.657 0.783 . . . . 74.45 110.595 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 95.63 20.94 25.41 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.293 0.371 . . . . 42.43 112.348 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -114.79 109.83 18.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.565 0.746 . . . . 71.43 110.57 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 97.1 m -83.22 122.67 77.51 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 108.677 -0.86 . . . . 52.24 108.677 165.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.28 -12.45 31.94 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.487 2.124 . . . . 65.51 112.825 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -85.69 -34.05 21.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.73 0.812 . . . . 63.51 110.533 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 59.94 -100.66 0.21 Allowed Glycine 0 C--N 1.352 1.444 0 O-C-N 123.905 0.753 . . . . 74.52 113.304 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.39 -35.54 75.89 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.644 0.778 . . . . 75.42 110.531 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -84.29 12.04 7.34 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.659 -0.701 . . . . 71.53 112.146 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 48.0 t -75.06 119.03 18.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.634 0.774 . . . . 74.14 109.792 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.29 -38.04 89.0 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.486 0.66 . . . . 62.13 110.323 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -80.65 122.17 26.77 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.209 -1.36 . . . . 62.15 110.185 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 6.4 p -74.0 145.1 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 114.757 -1.11 . . . . 64.22 110.01 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -86.7 136.76 34.33 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 115.778 -0.646 . . . . 64.31 109.673 -174.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo . . . . . 0 C--N 1.388 2.64 0 C-N-CA 124.244 3.296 . . . . 53.25 114.04 -170.215 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.464 0.23 0 N-CA-C 108.324 -0.991 . . . . 74.12 108.324 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 319' ' ' LEU . . . . . 0.417 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 8.4 tt -62.53 127.42 31.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.331 -1.359 . . . . 64.21 107.331 174.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.641 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 82.6 m -57.89 122.21 12.38 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.718 0.636 . . . . 74.44 111.281 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.98 -22.57 60.67 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.234 0.959 . . . . 61.45 111.261 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.74 -46.71 65.26 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.066 -0.97 . . . . 62.33 109.315 173.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.542 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 15.9 m-85 -86.14 2.44 46.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.468 1.107 . . . . 64.41 111.62 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.92 144.69 56.5 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 122.931 0.492 . . . . 61.52 110.259 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -68.35 109.48 3.66 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.611 0.764 . . . . 72.25 108.963 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.44 11.2 24.01 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.152 -0.931 . . . . 31.14 111.611 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -112.42 -158.13 13.76 Favored Glycine 0 C--N 1.345 1.079 0 C-N-CA 123.384 0.516 . . . . 73.31 112.512 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 48.7 p -80.84 -46.47 15.27 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.751 0.786 . . . . 74.45 111.177 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.32 61.95 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 114.61 -1.177 . . . . 42.43 112.177 -177.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -115.96 126.2 53.55 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.277 1.031 . . . . 71.43 109.892 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.404 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 87.9 m -80.83 142.86 52.99 Favored Pre-proline 0 N--CA 1.477 0.923 0 N-CA-C 109.352 -0.61 . . . . 52.24 109.352 167.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -67.39 -12.61 36.43 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.679 2.253 . . . . 65.51 112.629 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.18 -23.37 22.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.863 0.865 . . . . 63.51 110.206 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.88 -132.09 12.6 Favored Glycine 0 C--N 1.353 1.481 0 CA-C-N 115.851 -0.613 . . . . 74.52 111.978 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 36.1 tp -74.83 -14.29 60.67 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.635 0.774 . . . . 75.42 110.145 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -87.11 17.07 4.46 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.182 0.993 . . . . 71.53 111.461 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.7 t -71.95 143.68 49.18 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.429 0.691 . . . . 74.14 112.095 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.47 -31.81 58.0 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.905 0.882 . . . . 62.13 111.367 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.641 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 70.9 m-85 -91.98 154.45 18.79 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.089 -0.959 . . . . 62.15 111.415 -169.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.44 125.4 27.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 124.738 1.215 . . . . 64.22 111.407 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -88.02 126.6 60.54 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.486 0.714 . . . . 64.31 109.874 174.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 342' ' ' PRO . . . . . 0.417 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 54.5 Cg_endo . . . . . 0 C--N 1.382 2.322 0 C-N-CA 122.743 2.295 . . . . 53.25 110.84 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 318' ' ' LYS . . . . . 0.52 ' HB2' ' HA ' ' X' ' 339' ' ' PHE . 45.1 mtmt . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 109.293 -0.632 . . . . 74.12 109.293 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.94 117.44 3.44 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.099 0.874 . . . . 64.21 108.95 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 89.0 m -63.98 127.49 31.64 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.787 -0.642 . . . . 74.44 111.441 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -61.9 -24.69 67.1 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.272 0.983 . . . . 61.45 110.59 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.42 -46.54 82.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.998 0.919 . . . . 62.33 109.769 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.603 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 31.7 m-85 -89.4 0.22 57.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.92 0.888 . . . . 64.41 111.71 -176.009 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.87 157.61 37.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.846 0.458 . . . . 61.52 110.084 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -68.02 120.29 14.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.63 0.772 . . . . 72.25 110.556 -177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.08 -15.16 56.82 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 111.866 -0.494 . . . . 31.14 111.866 -171.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -85.06 174.53 49.5 Favored Glycine 0 C--N 1.346 1.093 0 C-N-CA 123.386 0.517 . . . . 73.31 112.16 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.2 p -70.58 -51.13 30.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.397 0.679 . . . . 74.45 111.715 -175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 101.14 4.25 53.9 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-N 115.346 -0.843 . . . . 42.43 111.67 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -113.69 121.22 43.45 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.974 0.909 . . . . 71.43 109.606 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.603 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 87.2 m -85.22 142.89 38.61 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 122.971 0.509 . . . . 52.24 110.318 171.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.33 -23.91 58.4 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 123.093 2.528 . . . . 65.51 112.952 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -91.04 -20.41 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.465 0.706 . . . . 63.51 110.761 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 66.95 -109.02 2.68 Favored Glycine 0 C--N 1.354 1.554 0 O-C-N 123.538 0.524 . . . . 74.52 112.869 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.7 tp -75.6 -32.77 60.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.498 0.719 . . . . 75.42 110.281 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -76.46 7.96 3.94 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.255 0.622 . . . . 71.53 112.188 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 337' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 45.5 t -66.53 119.37 11.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.642 0.777 . . . . 74.14 111.648 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.25 -26.46 67.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.222 1.009 . . . . 62.13 110.918 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.52 ' HA ' ' HB2' ' X' ' 318' ' ' LYS . 55.2 m-85 -81.58 122.01 27.04 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.231 1.013 . . . . 62.15 108.624 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.93 132.21 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.905 0.882 . . . . 64.22 111.067 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -88.04 118.77 70.02 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.892 -1.151 . . . . 64.31 107.892 -179.557 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo . . . . . 0 C--N 1.38 2.223 0 C-N-CA 123.187 2.591 . . . . 53.25 114.056 -171.555 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--O 1.237 0.402 0 N-CA-C 108.033 -1.099 . . . . 74.12 108.033 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.17 135.96 52.95 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.602 -0.888 . . . . 64.21 108.602 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 320' ' ' CYS . . . . . . . . . . . . . 86.3 m -63.59 128.91 37.96 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.831 0.707 . . . . 74.44 111.08 178.329 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -59.14 -23.92 62.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.154 1.382 . . . . 61.45 111.342 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.53 -46.88 71.51 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.244 -0.889 . . . . 62.33 109.397 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.44 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 6.0 m-85 -75.13 -25.13 58.18 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.771 0.828 . . . . 64.41 111.103 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.41 127.58 33.39 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.654 -0.869 . . . . 61.52 108.654 171.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.11 138.42 58.39 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.737 0.648 . . . . 72.25 110.346 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.0 -22.19 23.71 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 109.904 -1.278 . . . . 31.14 109.904 -162.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.28 -147.35 11.92 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 110.895 -0.882 . . . . 73.31 110.895 165.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 34.9 p -107.4 -21.01 13.08 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.899 0.88 . . . . 74.45 111.632 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 90.73 -12.69 67.93 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.669 1.128 . . . . 42.43 112.728 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -118.05 132.84 56.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.663 1.185 . . . . 71.43 110.021 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.44 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 77.3 m -81.92 121.72 79.41 Favored Pre-proline 0 N--CA 1.475 0.78 0 CA-C-O 118.22 -0.895 . . . . 52.24 109.245 168.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.22 -33.03 89.69 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.956 3.104 . . . . 65.51 113.629 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -78.05 -18.33 55.94 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.169 0.988 . . . . 63.51 111.121 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.17 -129.37 9.06 Favored Glycine 0 C--N 1.35 1.319 0 N-CA-C 110.856 -0.897 . . . . 74.52 110.856 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.02 -21.4 64.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.075 0.95 . . . . 75.42 111.42 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -69.83 -12.18 61.43 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.14 0.976 . . . . 71.53 112.532 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 337' ' ' CYS . . . . . 0.523 ' HB3' ' CE1' ' X' ' 341' ' ' HIS . 26.8 t -54.82 127.36 28.12 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.341 1.056 . . . . 74.14 112.368 178.248 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.18 -33.58 71.12 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.85 1.26 . . . . 62.13 111.813 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -80.36 131.19 35.59 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.527 -0.916 . . . . 62.15 108.527 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.07 142.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 O-C-N 123.678 0.611 . . . . 64.22 110.106 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 341' ' ' HIS . . . . . 0.523 ' CE1' ' HB3' ' X' ' 337' ' ' CYS . 32.5 m-70 -90.93 142.52 27.57 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.62 0.768 . . . . 64.31 109.992 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo . . . . . 0 C--N 1.379 2.184 0 C-N-CA 122.322 2.014 . . . . 53.25 111.476 -179.319 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 106.585 -1.635 . . . . 74.12 106.585 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.96 134.04 46.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.736 0.414 . . . . 64.21 110.602 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 320' ' ' CYS . . . . . . . . . . . . . 60.1 m -69.12 128.54 37.0 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.22 -0.9 . . . . 74.44 110.635 173.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -25.35 68.17 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.244 0.545 . . . . 61.45 109.547 168.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.9 -45.26 86.66 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 114.672 -1.149 . . . . 62.33 110.906 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.59 9.5 18.32 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.967 0.728 . . . . 64.41 112.967 -172.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.42 121.43 15.75 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.721 -0.844 . . . . 61.52 108.721 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.76 125.28 23.83 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.539 0.736 . . . . 72.25 110.772 -177.008 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.91 -19.55 30.21 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.356 -0.838 . . . . 31.14 111.654 -168.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.49 -158.83 34.99 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 123.473 0.558 . . . . 73.31 112.575 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 9.7 t -66.88 -36.23 81.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.509 0.724 . . . . 74.45 111.374 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 78.09 -9.48 32.29 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.544 -0.753 . . . . 42.43 114.791 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -117.11 137.08 52.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.652 0.781 . . . . 71.43 110.199 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 84.6 m -90.9 147.19 35.37 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.919 -0.562 . . . . 52.24 110.477 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.85 -26.27 67.45 Favored 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.621 2.214 . . . . 65.51 112.749 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -94.5 -23.54 17.66 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.605 0.762 . . . . 63.51 110.601 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 62.74 -103.62 0.66 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 123.764 0.665 . . . . 74.52 112.962 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.64 -32.31 73.91 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.163 0.985 . . . . 75.42 110.642 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -92.14 17.55 9.38 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.063 -0.972 . . . . 71.53 111.919 -173.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 337' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 50.4 t -80.35 121.3 25.52 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.596 0.759 . . . . 74.14 110.934 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -23.72 60.43 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.3 0.64 . . . . 62.13 110.849 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.499 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 98.5 m-85 -71.27 112.6 7.54 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.701 -1.222 . . . . 62.15 107.701 165.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 6.0 p -75.71 144.81 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.131 0.491 . . . . 64.22 110.199 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -90.08 139.47 27.28 Favored Pre-proline 0 N--CA 1.471 0.576 0 C-N-CA 123.689 0.796 . . . . 64.31 110.035 -173.168 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 C--N 1.372 1.803 0 C-N-CA 122.321 2.014 . . . . 53.25 112.422 -173.848 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 318' ' ' LYS . . . . . 0.528 ' HG3' ' HA ' ' X' ' 339' ' ' PHE . 8.4 ptpp? . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 108.909 -0.775 . . . . 74.12 108.909 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.94 124.78 20.45 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.39 -0.823 . . . . 64.21 110.899 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 91.6 m -62.77 120.87 12.09 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.643 0.777 . . . . 74.44 111.465 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -57.08 -27.66 61.93 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.837 0.855 . . . . 61.45 111.011 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 322' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' X' ' 331' ' ' CYS . 1.5 m-20 -64.84 -45.24 86.95 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.181 0.992 . . . . 62.33 110.195 176.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.51 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 9.9 m-85 -81.49 -14.85 56.49 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.628 -0.714 . . . . 64.41 111.581 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.55 156.32 36.95 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.215 0.606 . . . . 61.52 110.411 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -66.29 127.2 31.31 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.402 0.681 . . . . 72.25 110.784 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.58 24.62 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 110.831 -0.907 . . . . 31.14 110.831 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.38 168.93 31.26 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.67 -0.572 . . . . 73.31 111.67 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 328' ' ' THR . . . . . 0.532 HG23 ' H ' ' X' ' 330' ' ' PHE . 10.2 t -84.18 -14.33 50.42 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.451 0.7 . . . . 74.45 111.359 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 329' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 89.28 -0.56 81.38 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 116.34 -0.391 . . . . 42.43 113.356 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 330' ' ' PHE . . . . . 0.532 ' H ' HG23 ' X' ' 328' ' ' THR . 81.8 t80 -113.71 129.01 56.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.551 1.141 . . . . 71.43 109.774 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.452 ' HG ' ' HE1' ' X' ' 323' ' ' PHE . 90.0 m -89.44 133.21 35.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 123.189 0.596 . . . . 52.24 109.477 169.026 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.02 -27.5 84.78 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 122.569 2.18 . . . . 65.51 112.122 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -79.72 -30.5 40.93 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.869 -1.06 . . . . 63.51 110.864 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 65.55 -112.65 5.14 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.422 0.451 . . . . 74.52 113.11 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 52.8 tp -69.72 -32.07 70.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.532 0.733 . . . . 75.42 110.164 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -77.1 -1.77 30.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.761 0.824 . . . . 71.53 111.666 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 337' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 49.5 t -68.16 119.68 13.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.755 0.822 . . . . 74.14 110.782 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.44 -31.46 69.79 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.815 0.846 . . . . 62.13 109.932 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.538 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 79.7 m-85 -67.31 126.62 29.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.71 -0.677 . . . . 62.15 110.187 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 340' ' ' VAL . . . . . 0.431 ' H ' ' HG3' ' X' ' 318' ' ' LYS . 84.4 t -67.91 130.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.89 1.276 . . . . 64.22 111.315 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 20.0 m-70 -89.6 118.89 69.43 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 108.859 -0.793 . . . . 64.31 108.859 176.31 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo . . . . . 0 C--N 1.372 1.768 0 C-N-CA 123.343 2.695 . . . . 53.25 113.486 -176.062 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 107.588 -1.264 . . . . 74.12 107.588 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.42 118.06 4.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.898 0.879 . . . . 64.21 110.013 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 86.9 m -63.15 124.61 21.62 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 122.953 0.501 . . . . 74.44 111.531 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -59.08 -28.64 66.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.797 0.839 . . . . 61.45 111.189 172.44 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.26 -42.0 80.24 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.542 0.737 . . . . 62.33 110.152 174.568 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 11.1 m-85 -90.2 2.81 54.98 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.534 0.733 . . . . 64.41 111.948 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.58 159.78 29.02 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.266 0.626 . . . . 61.52 110.221 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -66.27 109.8 2.8 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.411 -0.589 . . . . 72.25 109.411 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.85 14.45 17.3 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.776 -0.647 . . . . 31.14 112.224 -174.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -99.36 -178.35 31.38 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 116.98 0.39 . . . . 73.31 112.41 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 32.3 p -71.09 -39.97 71.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.391 0.676 . . . . 74.45 110.375 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.7 -8.18 61.58 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 114.483 -1.235 . . . . 42.43 112.341 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -114.54 119.62 37.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.4 0.68 . . . . 71.43 110.213 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 68.6 m -77.53 124.0 86.72 Favored Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 109.338 -0.616 . . . . 52.24 109.338 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.05 -23.82 76.05 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.576 2.184 . . . . 65.51 113.095 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -68.32 -21.01 64.78 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.16 0.984 . . . . 63.51 111.158 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.08 -127.48 11.04 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 116.215 -0.448 . . . . 74.52 112.454 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.2 tp -72.94 -26.56 61.43 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.305 0.642 . . . . 75.42 110.449 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -77.91 4.23 12.54 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.83 0.852 . . . . 71.53 112.314 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.4 t -65.02 116.45 6.45 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.77 0.319 . . . . 74.14 110.832 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.11 -34.18 59.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.47 0.708 . . . . 62.13 111.085 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.526 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 78.3 m-85 -60.19 109.57 1.01 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.151 -0.931 . . . . 62.15 109.517 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.76 118.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.853 0.72 . . . . 64.22 110.528 -174.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 341' ' ' HIS . . . . . 0.51 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.8 m170 -68.24 148.19 98.27 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 114.824 -1.08 . . . . 64.31 109.906 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo . . . . . 0 C--N 1.373 1.836 0 C-N-CA 122.484 2.123 . . . . 53.25 112.594 -179.279 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.1 mttp . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 109.341 -0.614 . . . . 74.12 109.341 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.16 125.04 21.99 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.748 0.419 . . . . 64.21 110.165 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 81.7 m -65.22 127.11 30.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.891 0.744 . . . . 74.44 111.733 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.37 -19.46 65.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.086 0.954 . . . . 61.45 110.634 170.362 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -69.31 -44.92 70.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.574 1.15 . . . . 62.33 109.414 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.86 -13.21 57.93 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.919 -1.037 . . . . 64.41 111.25 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.71 120.43 17.3 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.252 -0.647 . . . . 61.52 109.252 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -64.74 146.5 54.69 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.447 0.699 . . . . 72.25 112.467 -171.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.35 4.18 35.2 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 114.459 -1.246 . . . . 31.14 111.487 -165.692 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -134.51 -147.64 5.62 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 123.441 0.543 . . . . 73.31 112.071 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 62.2 p -76.22 -37.16 58.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.456 0.702 . . . . 74.45 111.852 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 84.92 -7.38 74.9 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.587 -0.733 . . . . 42.43 111.899 -170.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -114.88 133.01 56.33 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.265 1.026 . . . . 71.43 110.376 -176.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.461 ' SG ' ' HE1' ' X' ' 341' ' ' HIS . 93.8 m -82.87 125.07 76.19 Favored Pre-proline 0 N--CA 1.469 0.52 0 N-CA-C 108.745 -0.835 . . . . 52.24 108.745 169.368 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.1 -22.43 67.58 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.583 2.189 . . . . 65.51 112.335 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 333' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 58.1 m-85 -75.84 -27.74 57.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.892 0.877 . . . . 63.51 110.935 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 71.96 -117.94 6.69 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 115.644 -0.707 . . . . 74.52 112.174 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.61 -22.39 60.97 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.759 0.824 . . . . 75.42 110.424 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -88.43 19.74 3.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.855 0.862 . . . . 71.53 110.902 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 337' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 46.7 t -65.42 135.01 54.7 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.96 0.904 . . . . 74.14 111.75 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.04 -44.27 85.11 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.643 -0.708 . . . . 62.13 109.707 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.653 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 34.5 m-85 -85.5 139.6 31.34 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.185 -0.916 . . . . 62.15 110.039 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 69.1 t -79.04 132.56 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.486 0.714 . . . . 64.22 111.262 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 341' ' ' HIS . . . . . 0.461 ' HE1' ' SG ' ' X' ' 331' ' ' CYS . 9.6 m-70 -81.71 134.87 49.82 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.397 -0.819 . . . . 64.31 108.99 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo . . . . . 0 C--N 1.376 2.008 0 C-N-CA 122.654 2.236 . . . . 53.25 112.116 178.622 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 C--O 1.24 0.572 0 N-CA-C 106.054 -1.832 . . . . 74.12 106.054 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 38.1 tp -59.66 124.19 19.31 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.874 0.734 . . . . 64.21 109.432 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 59.4 m -64.43 131.24 46.6 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.4 1.063 . . . . 74.44 109.92 176.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -62.41 -24.33 67.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.77 0.828 . . . . 61.45 110.792 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.57 -44.24 74.87 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.299 1.04 . . . . 62.33 110.046 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -81.26 -6.05 58.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.03 0.932 . . . . 64.41 112.15 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.93 129.63 40.5 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.594 -0.891 . . . . 61.52 108.594 169.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -57.2 127.61 32.86 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.9 0.75 . . . . 72.25 111.903 -166.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.19 1.46 58.19 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.819 -0.628 . . . . 31.14 112.743 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.51 -146.07 10.64 Favored Glycine 0 C--N 1.357 1.695 0 N-CA-C 112.169 -0.372 . . . . 73.31 112.169 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 67.3 p -84.48 -41.94 16.08 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.568 0.699 . . . . 74.45 109.685 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.39 -8.31 75.06 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 114.987 -1.006 . . . . 42.43 113.102 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -115.52 123.54 48.77 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.545 1.138 . . . . 71.43 108.871 176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.69 130.32 68.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 109.031 -0.729 . . . . 52.24 109.031 168.105 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.65 -24.98 48.24 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.999 2.466 . . . . 65.51 113.59 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -70.95 -44.67 65.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.781 0.832 . . . . 63.51 110.032 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.55 -121.45 6.24 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.763 -0.653 . . . . 74.52 111.972 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.2 tp -74.96 -28.06 60.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.972 0.909 . . . . 75.42 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -84.23 14.69 4.08 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 71.53 112.019 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.48 116.58 11.99 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.763 -0.829 . . . . 74.14 108.763 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.41 -34.14 76.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.731 0.644 . . . . 62.13 110.349 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.454 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 66.1 m-85 -64.68 104.78 0.86 Allowed 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.2 0.937 . . . . 62.15 108.537 177.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.95 128.16 29.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 115.189 -0.914 . . . . 64.22 110.745 -172.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 341' ' ' HIS . . . . . 0.449 ' CD2' ' SG ' ' X' ' 320' ' ' CYS . 24.5 m170 -80.75 150.14 68.91 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 114.633 -1.167 . . . . 64.31 109.999 -174.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.373 1.841 0 C-N-CA 122.716 2.277 . . . . 53.25 112.809 -174.736 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 318' ' ' LYS . . . . . 0.738 ' HB2' ' H ' ' X' ' 340' ' ' VAL . 26.2 mtpp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 108.806 -0.812 . . . . 74.12 108.806 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.99 113.55 3.16 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.399 0.679 . . . . 64.21 110.161 -169.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 58.1 m -63.16 131.82 49.76 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 124.317 1.01 . . . . 74.44 110.955 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -58.09 -27.66 63.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.286 0.991 . . . . 61.45 111.091 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.42 -44.55 78.49 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.255 0.622 . . . . 62.33 110.298 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.477 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 23.5 m-85 -81.44 -4.58 56.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.815 0.846 . . . . 64.41 111.616 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.89 148.92 43.92 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.839 -0.43 . . . . 61.52 109.839 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -61.54 125.29 23.26 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 123.879 0.737 . . . . 72.25 110.976 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.38 -9.26 49.2 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.765 -0.652 . . . . 31.14 112.26 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.76 -173.0 41.06 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 123.314 0.483 . . . . 73.31 112.106 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 76.5 p -76.21 -33.81 59.25 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.968 0.507 . . . . 74.45 110.622 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 329' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 91.34 -1.16 76.07 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 114.975 -1.011 . . . . 42.43 112.168 -173.286 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.08 122.55 45.48 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.333 1.053 . . . . 71.43 110.901 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 95.2 m -81.79 141.48 47.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.15 0.58 . . . . 52.24 109.505 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.03 -33.56 91.72 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.878 2.385 . . . . 65.51 112.629 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -82.24 -18.33 42.89 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.633 -0.712 . . . . 63.51 111.383 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 72.48 -123.25 9.02 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-O 119.728 -0.485 . . . . 74.52 111.905 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.5 tp -73.8 -19.35 60.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.104 0.562 . . . . 75.42 110.891 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -72.66 -14.02 61.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.811 0.445 . . . . 71.53 111.958 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 37.6 t -58.83 119.71 7.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.84 0.856 . . . . 74.14 110.749 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.27 -36.1 82.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.38 0.672 . . . . 62.13 110.663 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.497 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 47.3 m-85 -69.87 121.59 17.6 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.511 -0.768 . . . . 62.15 109.166 177.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 340' ' ' VAL . . . . . 0.738 ' H ' ' HB2' ' X' ' 318' ' ' LYS . 25.8 t -80.31 136.5 23.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 123.554 0.741 . . . . 64.22 110.633 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -86.78 132.34 42.54 Favored Pre-proline 0 C--O 1.239 0.509 0 CA-C-N 115.063 -0.971 . . . . 64.31 110.462 -169.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo . . . . . 0 C--N 1.384 2.415 0 C-N-CA 123.141 2.561 . . . . 53.25 110.812 174.779 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 C--O 1.239 0.52 0 N-CA-C 108.399 -0.963 . . . . 74.12 108.399 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 319' ' ' LEU . . . . . 0.401 HD23 ' O ' ' X' ' 320' ' ' CYS . 7.7 tt -70.13 129.38 39.25 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.297 -1.32 . . . . 64.21 109.748 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 36.2 m -58.82 125.85 25.21 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.73 0.812 . . . . 74.44 110.812 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -62.06 -22.33 65.67 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.158 0.583 . . . . 61.45 110.105 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -63.03 -42.92 99.9 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.397 1.079 . . . . 62.33 110.213 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -84.98 -17.68 36.87 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.948 0.899 . . . . 64.41 111.335 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -76.65 144.26 39.59 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.062 -0.718 . . . . 61.52 109.062 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -62.56 141.29 58.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.649 0.78 . . . . 72.25 111.184 -174.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 100.56 -19.81 50.93 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.886 -0.886 . . . . 31.14 110.886 -163.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.25 -172.08 44.47 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 123.544 0.592 . . . . 73.31 111.75 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 71.6 p -94.42 -11.39 29.91 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.368 0.667 . . . . 74.45 111.851 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.63 69.53 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.726 -0.67 . . . . 42.43 113.304 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -116.13 134.68 54.67 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.322 1.049 . . . . 71.43 109.445 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.19 136.35 35.93 Favored Pre-proline 0 N--CA 1.472 0.632 0 CA-C-O 118.161 -0.924 . . . . 52.24 109.108 168.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.12 -23.12 72.52 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.95 2.434 . . . . 65.51 113.273 -174.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -90.43 -17.85 26.46 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.059 0.944 . . . . 63.51 111.591 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.21 -119.23 6.2 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.713 -0.493 . . . . 74.52 112.184 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.0 tp -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.14 0.576 . . . . 75.42 110.52 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -72.55 -10.63 60.02 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.077 0.551 . . . . 71.53 112.466 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.35 118.36 5.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.293 0.637 . . . . 74.14 111.088 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.97 -25.14 61.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.282 0.989 . . . . 62.13 111.241 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.409 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 65.0 m-85 -73.35 131.28 41.7 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 107.749 -1.204 . . . . 62.15 107.749 169.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 14.9 p -79.55 143.24 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 121.198 0.523 . . . . 64.22 110.785 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 16.6 m-70 -89.03 140.52 29.07 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.281 -0.872 . . . . 64.31 108.784 179.294 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 C--N 1.382 2.325 0 C-N-CA 123.589 2.859 . . . . 53.25 112.267 -176.647 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.791 0.329 . . . . 74.12 110.711 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.63 141.16 55.59 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 64.21 112.058 -175.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.441 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 98.9 m -80.32 133.36 35.94 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.02 -0.536 . . . . 74.44 111.274 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -63.6 -26.54 68.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.479 -1.237 . . . . 61.45 110.783 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -65.35 -40.51 93.7 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.727 0.811 . . . . 62.33 109.558 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.417 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 10.4 m-85 -88.15 5.49 41.07 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.296 1.038 . . . . 64.41 111.804 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -87.78 157.09 19.12 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.699 0.8 . . . . 61.52 109.603 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.51 121.34 15.11 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.508 0.323 . . . . 72.25 110.434 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.59 26.15 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 116.108 -0.496 . . . . 31.14 111.989 -170.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.1 -177.39 48.97 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.941 -0.464 . . . . 73.31 111.941 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 3.8 m -89.56 -12.02 41.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.387 0.675 . . . . 74.45 111.352 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.53 -9.03 59.99 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.351 -0.841 . . . . 42.43 113.944 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -118.2 139.19 51.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.125 0.97 . . . . 71.43 109.668 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.417 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 86.5 m -92.04 134.77 28.1 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 108.601 -0.888 . . . . 52.24 108.601 167.011 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -57.34 -24.76 61.93 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.496 2.797 . . . . 65.51 114.617 -171.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -88.34 -8.58 54.88 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.655 0.782 . . . . 63.51 112.086 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.45 -127.53 10.75 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.741 -0.543 . . . . 74.52 111.741 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.35 -19.37 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.62 0.768 . . . . 75.42 110.464 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -75.39 1.22 14.46 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.017 0.927 . . . . 71.53 112.307 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 337' ' ' CYS . . . . . 0.476 ' HB3' ' CE1' ' X' ' 341' ' ' HIS . 27.1 t -61.87 140.62 58.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.504 0.721 . . . . 74.14 111.875 177.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -56.77 -53.54 56.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.833 1.253 . . . . 62.13 111.12 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.441 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 85.6 m-85 -84.56 140.19 31.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 114.911 -1.04 . . . . 62.15 109.998 -178.439 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.04 141.79 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.679 0.791 . . . . 64.22 110.328 -178.162 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 341' ' ' HIS . . . . . 0.476 ' CE1' ' HB3' ' X' ' 337' ' ' CYS . 22.8 m-70 -92.7 151.5 41.04 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 123.478 0.711 . . . . 64.31 110.195 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo . . . . . 0 C--N 1.369 1.629 0 C-N-CA 122.78 2.32 . . . . 53.25 113.073 169.179 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 318' ' ' LYS . . . . . 0.427 ' HE3' ' HD1' ' X' ' 339' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.465 0.174 . . . . 74.12 111.436 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -72.73 155.25 40.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.879 -0.6 . . . . 64.21 110.556 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 320' ' ' CYS . . . . . . . . . . . . . 85.3 m -60.74 145.43 49.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.234 0.613 . . . . 74.44 112.107 176.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -65.16 -26.33 68.12 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.769 -0.651 . . . . 61.45 110.498 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.16 -43.87 97.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.15 0.98 . . . . 62.33 109.993 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.628 ' HE1' ' HG ' ' X' ' 331' ' ' CYS . 10.2 m-85 -90.82 6.38 44.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.409 1.084 . . . . 64.41 111.735 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.95 158.95 33.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.277 0.631 . . . . 61.52 110.711 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -69.67 112.91 6.46 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.052 0.541 . . . . 72.25 110.578 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.32 -0.24 43.7 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.613 -0.595 . . . . 31.14 111.613 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -84.03 -179.01 51.78 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.27 0.462 . . . . 73.31 112.453 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.6 p -80.33 -35.23 35.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.678 0.791 . . . . 74.45 110.565 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 92.95 0.41 68.52 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 114.588 -1.187 . . . . 42.43 112.742 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -110.89 119.11 38.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.745 0.818 . . . . 71.43 110.605 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.628 ' HG ' ' HE1' ' X' ' 323' ' ' PHE . 65.3 m -82.08 137.93 46.13 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.431 0.692 . . . . 52.24 109.971 168.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.57 -27.81 53.44 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.1 2.533 . . . . 65.51 112.299 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -83.77 -17.67 40.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.557 0.743 . . . . 63.51 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.76 -131.51 12.06 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.087 -0.506 . . . . 74.52 112.647 -175.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.9 tp -72.94 -24.64 60.83 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.494 0.718 . . . . 75.42 110.256 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -72.06 -5.15 33.15 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.203 0.601 . . . . 71.53 112.059 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 337' ' ' CYS . . . . . 0.431 ' HB3' ' CE1' ' X' ' 341' ' ' HIS . 10.7 t -60.41 119.4 7.91 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.534 0.334 . . . . 74.14 110.972 173.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.46 69.81 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.284 -0.871 . . . . 62.13 111.201 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.427 ' HD1' ' HE3' ' X' ' 318' ' ' LYS . 60.1 m-85 -69.05 115.14 8.0 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.626 -1.25 . . . . 62.15 107.626 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.53 138.9 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-O 121.512 0.673 . . . . 64.22 110.746 -172.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 341' ' ' HIS . . . . . 0.431 ' CE1' ' HB3' ' X' ' 337' ' ' CYS . 26.2 m-70 -90.35 150.58 43.22 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 114.573 -1.194 . . . . 64.31 109.424 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo . . . . . 0 C--N 1.376 2.009 0 C-N-CA 122.567 2.178 . . . . 53.25 112.856 177.63 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 23.1 tptm . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 108.144 -1.058 . . . . 74.12 108.144 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.6 121.11 10.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.783 1.233 . . . . 64.21 110.21 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.489 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.7 m -59.48 128.07 35.22 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.084 0.865 . . . . 74.44 111.347 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -26.6 41.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.879 0.871 . . . . 61.45 111.396 174.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 322' ' ' ASN . . . . . 0.573 ' ND2' ' HD3' ' X' ' 332' ' ' PRO . 9.6 m120 -63.68 -46.11 87.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.74 1.216 . . . . 62.33 110.389 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -87.06 -9.96 54.16 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.256 -0.884 . . . . 64.41 111.628 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.95 146.47 46.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.187 0.595 . . . . 61.52 109.921 170.501 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -63.08 120.74 12.02 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.888 0.475 . . . . 72.25 110.715 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.18 -9.8 29.05 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-N 115.914 -0.585 . . . . 31.14 112.077 -169.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.75 173.08 39.66 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.511 0.577 . . . . 73.31 112.417 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 41.0 p -70.97 -18.4 62.62 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.066 0.946 . . . . 74.45 112.14 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.77 -11.98 50.32 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.679 1.133 . . . . 42.43 112.759 -174.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -116.03 125.74 52.87 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.506 1.122 . . . . 71.43 109.628 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.85 126.05 92.29 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 108.313 -0.995 . . . . 52.24 108.313 162.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 332' ' ' PRO . . . . . 0.573 ' HD3' ' ND2' ' X' ' 322' ' ' ASN . 31.3 Cg_exo -60.87 -23.77 77.66 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 122.862 2.375 . . . . 65.51 112.096 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -84.42 -22.13 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.602 -1.181 . . . . 63.51 110.905 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.85 -107.87 1.97 Allowed Glycine 0 C--N 1.352 1.447 0 O-C-N 123.404 0.44 . . . . 74.52 113.813 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.56 -34.73 67.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.236 0.614 . . . . 75.42 109.742 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -77.78 9.62 3.36 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.498 1.119 . . . . 71.53 112.238 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 49.7 t -64.92 142.63 58.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.628 0.771 . . . . 74.14 110.861 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.18 -29.52 11.67 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.774 0.83 . . . . 62.13 110.632 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.06 142.77 32.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.498 0.719 . . . . 62.15 110.45 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.84 138.3 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.925 0.89 . . . . 64.22 111.409 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 341' ' ' HIS . . . . . 0.489 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 19.8 m170 -90.02 146.38 34.97 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 108.587 -0.894 . . . . 64.31 108.587 174.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.492 1.394 0 C-N-CA 123.051 2.5 . . . . 53.25 112.978 -177.929 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 107.712 -1.218 . . . . 74.12 107.712 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 45.2 tp -59.88 129.66 42.95 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 122.79 0.436 . . . . 64.21 110.775 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.44 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 73.6 m -64.74 121.83 15.46 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.287 0.635 . . . . 74.44 111.286 177.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -63.0 -26.54 68.9 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.454 1.102 . . . . 61.45 110.392 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -58.66 -45.79 88.6 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.72 0.808 . . . . 62.33 109.61 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.515 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 20.4 m-85 -90.03 6.84 40.58 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.862 -1.063 . . . . 64.41 112.268 -175.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -91.05 157.17 17.41 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.399 0.68 . . . . 61.52 109.515 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 124.83 21.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.678 0.791 . . . . 72.25 110.27 -176.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.03 40.32 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 115.968 -0.56 . . . . 31.14 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -81.03 175.44 54.79 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 123.673 0.278 . . . . 73.31 112.761 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 328' ' ' THR . . . . . 0.458 HG23 ' H ' ' X' ' 330' ' ' PHE . 3.9 t -69.38 -26.87 64.87 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.924 0.89 . . . . 74.45 112.084 178.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.61 78.81 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.291 0.472 . . . . 42.43 113.108 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 330' ' ' PHE . . . . . 0.458 ' H ' HG23 ' X' ' 328' ' ' THR . 47.1 m-85 -115.48 123.81 49.51 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.99 0.916 . . . . 71.43 110.431 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.515 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 73.6 m -80.48 121.35 81.35 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 109.475 -0.565 . . . . 52.24 109.475 170.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -64.78 -20.57 64.91 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.813 2.342 . . . . 65.51 112.944 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -75.94 -24.54 55.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.997 0.919 . . . . 63.51 111.693 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 64.63 -110.37 3.43 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.572 0.545 . . . . 74.52 112.799 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.3 tp -67.02 -33.17 74.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.833 0.853 . . . . 75.42 110.847 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -83.57 6.54 20.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.58 0.752 . . . . 71.53 112.281 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 337' ' ' CYS . . . . . 0.459 ' SG ' ' HE1' ' X' ' 341' ' ' HIS . 42.9 t -67.9 116.92 9.11 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 120.732 0.301 . . . . 74.14 110.711 -179.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.85 -28.25 40.08 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 62.13 110.222 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.44 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 65.1 m-85 -76.61 128.08 34.02 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 115.005 -0.998 . . . . 62.15 108.894 176.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.43 142.25 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 C-N-CA 123.197 0.599 . . . . 64.22 110.603 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 341' ' ' HIS . . . . . 0.459 ' HE1' ' SG ' ' X' ' 337' ' ' CYS . 19.8 m-70 -91.23 144.81 30.4 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 123.965 0.906 . . . . 64.31 108.871 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 C--N 1.364 1.38 0 C-N-CA 122.389 2.059 . . . . 53.25 111.495 -176.031 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 108.032 -1.099 . . . . 74.12 108.032 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' X' X ' 319' ' ' LEU . . . . . 0.475 ' HB2' ' HD3' ' X' ' 342' ' ' PRO . 2.6 pt? -67.93 148.74 50.68 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.894 -1.048 . . . . 64.21 111.113 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 320' ' ' CYS . . . . . . . . . . . . . 70.0 m -72.49 126.53 30.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.423 -0.808 . . . . 74.44 109.961 176.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -66.19 -21.04 66.3 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.751 0.657 . . . . 61.45 110.373 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -58.1 -47.27 83.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.574 1.15 . . . . 62.33 109.521 171.072 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 323' ' ' PHE . . . . . 0.434 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 14.9 m-85 -85.9 -22.18 27.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.178 0.991 . . . . 64.41 111.504 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.27 53.63 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 122.624 0.37 . . . . 61.52 110.228 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -55.17 127.76 30.73 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.085 0.954 . . . . 72.25 112.256 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 105.42 -20.51 37.18 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 112.07 -0.412 . . . . 31.14 112.07 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.23 -179.49 52.64 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 112.38 -0.288 . . . . 73.31 112.38 172.7 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 45.7 p -74.26 -29.91 61.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.51 0.724 . . . . 74.45 111.068 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -6.6 63.28 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 115.012 -0.994 . . . . 42.43 112.091 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.46 131.27 56.98 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.042 0.937 . . . . 71.43 111.75 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 331' ' ' CYS . . . . . 0.434 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 90.6 m -89.16 136.62 30.07 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 123.429 0.692 . . . . 52.24 109.151 165.697 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.01 -32.06 84.68 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.943 2.429 . . . . 65.51 113.702 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -87.11 -8.92 56.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.444 0.697 . . . . 63.51 111.375 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 70.02 -125.72 16.03 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-O 119.36 -0.689 . . . . 74.52 111.632 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.1 tp -78.57 -15.62 58.35 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.591 0.695 . . . . 75.42 110.862 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -71.82 -4.63 29.04 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.105 0.562 . . . . 71.53 111.914 174.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.91 140.78 23.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.593 1.157 . . . . 74.14 112.773 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.09 -37.27 72.42 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.396 0.678 . . . . 62.13 111.027 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -87.73 145.16 26.26 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.305 -0.861 . . . . 62.15 110.127 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 340' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' X' ' 319' ' ' LEU . 53.2 t -79.08 143.1 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.735 0.814 . . . . 64.22 110.135 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -90.58 123.13 66.08 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.356 -0.979 . . . . 64.31 108.356 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 342' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' X' ' 319' ' ' LEU . 15.9 Cg_endo . . . . . 0 C--N 1.375 1.951 0 C-N-CA 123.024 2.483 . . . . 53.25 112.622 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 106.863 -1.532 . . . . 74.12 106.863 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 9.2 tt -70.81 126.85 30.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.454 0.702 . . . . 64.21 111.373 -164.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 320' ' ' CYS . . . . . 0.462 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 73.0 m -78.57 119.83 22.4 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 123.175 0.59 . . . . 74.44 110.213 174.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -60.56 -24.8 65.7 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.585 0.754 . . . . 61.45 110.626 171.752 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -58.12 -46.82 84.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.475 1.11 . . . . 62.33 110.32 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -88.13 -17.57 30.69 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.35 0.66 . . . . 64.41 112.27 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.57 143.66 57.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.449 -0.574 . . . . 61.52 109.449 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -60.73 131.56 51.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.826 0.85 . . . . 72.25 111.225 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.73 -6.05 60.35 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 111.104 -0.798 . . . . 31.14 111.104 -165.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.55 171.16 36.1 Favored Glycine 0 C--N 1.351 1.378 0 C-N-CA 123.747 0.689 . . . . 73.31 113.156 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 328' ' ' THR . . . . . 0.532 HG23 ' H ' ' X' ' 330' ' ' PHE . 8.6 t -81.62 -18.23 45.41 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.73 0.812 . . . . 74.45 111.299 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.74 74.34 Favored Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.412 0.529 . . . . 42.43 113.437 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 330' ' ' PHE . . . . . 0.532 ' H ' HG23 ' X' ' 328' ' ' THR . 83.0 m-85 -111.35 114.71 28.07 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.552 1.141 . . . . 71.43 109.828 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 67.9 m -81.83 137.55 47.1 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 109.003 -0.74 . . . . 52.24 109.003 166.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.47 -20.99 53.9 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.456 2.104 . . . . 65.51 113.034 -172.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 333' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 70.9 m-85 -94.79 -18.04 21.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.032 0.933 . . . . 63.51 111.516 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 67.28 -107.23 1.94 Allowed Glycine 0 C--N 1.349 1.292 0 C-N-CA 123.018 0.342 . . . . 74.52 113.587 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.7 tp -75.02 -34.31 61.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.617 0.767 . . . . 75.42 110.531 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -86.96 20.12 2.77 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.883 -0.599 . . . . 71.53 111.953 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 337' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 49.2 t -67.47 117.26 9.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.941 0.496 . . . . 74.14 110.234 178.433 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.45 -15.14 62.32 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 62.13 112.055 -178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 339' ' ' PHE . . . . . 0.462 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 95.4 m-85 -94.68 117.2 29.75 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 108.063 -1.088 . . . . 62.15 108.063 171.128 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.39 133.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 64.22 109.79 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -76.88 137.59 66.06 Favored Pre-proline 0 N--CA 1.471 0.58 0 CA-C-N 115.718 -0.673 . . . . 64.31 109.441 -173.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 C--N 1.369 1.631 0 C-N-CA 122.162 1.908 . . . . 53.25 111.632 176.247 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.558 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.5 OUTLIER . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 108.951 -0.759 . . . . 74.42 108.951 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -142.45 132.68 24.76 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.433 0.693 . . . . 42.34 110.054 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -93.69 17.33 12.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.481 1.112 . . . . 73.52 110.375 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 13.7 t80 81.9 -26.7 0.14 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.316 1.446 . . . . 72.11 111.699 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -79.41 74.53 6.03 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 123.173 0.589 . . . . 43.02 109.935 170.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 1.1 p -141.39 63.33 1.44 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.084 -1.45 . . . . 53.43 107.084 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -95.03 87.5 4.94 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.299 -1.319 . . . . 74.12 108.79 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 319' ' ' LEU . . . . . 0.566 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 7.8 tt -62.21 120.06 10.21 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.589 -0.893 . . . . 64.21 108.589 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.513 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 38.1 m -56.58 141.76 41.95 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.552 1.158 . . . . 74.44 112.419 -173.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -60.98 -23.18 65.16 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.844 -0.617 . . . . 61.45 110.295 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.91 -49.42 68.06 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.869 0.868 . . . . 62.33 109.416 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -87.84 1.99 52.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.035 0.934 . . . . 64.41 111.854 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.02 133.36 44.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.954 -0.758 . . . . 61.52 108.954 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.11 117.76 7.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.415 0.686 . . . . 72.25 111.283 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.92 -8.49 27.51 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.046 -0.525 . . . . 31.14 112.251 -170.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -91.28 -153.41 29.48 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 123.634 0.635 . . . . 73.31 111.924 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 44.8 p -82.93 -47.84 11.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.396 0.678 . . . . 74.45 110.759 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.98 64.06 Favored Glycine 0 N--CA 1.469 0.839 0 CA-C-N 115.086 -0.961 . . . . 42.43 111.889 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -116.14 124.12 49.55 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.28 1.032 . . . . 71.43 110.093 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 94.9 m -82.77 126.06 74.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.968 -0.753 . . . . 52.24 108.968 166.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.3 -28.96 85.23 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.674 2.249 . . . . 65.51 112.553 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.88 -18.48 56.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.985 0.914 . . . . 63.51 111.713 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 68.0 -124.48 20.27 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.448 0.467 . . . . 74.52 113.395 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.2 -32.7 73.94 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.904 0.882 . . . . 75.42 110.622 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -72.73 -5.1 35.48 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.037 0.935 . . . . 71.53 112.277 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.74 122.58 14.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.913 0.885 . . . . 74.14 111.366 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.52 -32.33 73.87 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.127 0.892 . . . . 62.13 111.252 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.466 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 92.8 m-85 -75.47 125.42 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.666 -0.697 . . . . 62.15 109.211 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 57.2 t -76.51 129.55 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.225 1.01 . . . . 64.22 110.224 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.513 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 16.2 m80 -86.41 148.78 47.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 109.378 -0.601 . . . . 64.31 109.378 -177.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 342' ' ' PRO . . . . . 0.566 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 36.6 Cg_endo -65.79 -15.82 50.64 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 122.124 1.883 . . . . 53.25 112.071 173.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 13.7 m -71.53 -35.35 70.66 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.607 0.763 . . . . 63.11 110.97 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -64.46 96.13 0.16 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.25 0.62 . . . . 71.23 111.431 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -95.04 169.8 9.86 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.572 0.749 . . . . 71.32 110.052 170.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 CA--C 1.568 1.643 0 C-N-CA 123.354 0.662 . . . . 74.32 111.241 177.65 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.467 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 120.934 0.397 . . . . 74.42 111.094 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -151.15 89.33 1.51 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.185 0.994 . . . . 42.34 109.008 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -103.68 47.31 0.88 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.321 0.648 . . . . 73.52 110.229 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -78.96 -29.04 43.72 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.445 -0.343 . . . . 72.11 110.449 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 316' ' ' LYS . . . . . 0.437 ' HA ' HG21 ' X' ' 340' ' ' VAL . 84.1 tttt -80.11 80.05 6.58 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.867 0.841 . . . . 43.02 110.243 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 10.2 t -169.98 -31.87 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.209 1.404 . . . . 53.43 108.885 -176.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -78.78 108.43 12.2 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.726 0.811 . . . . 74.12 110.704 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 319' ' ' LEU . . . . . 0.405 HD11 ' HD3' ' X' ' 342' ' ' PRO . 56.0 tp -64.44 144.29 57.29 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.897 -1.047 . . . . 64.21 109.938 172.118 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 74.3 m -58.98 132.03 52.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.012 0.525 . . . . 74.44 110.216 174.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -56.75 -25.7 55.62 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.898 . . . . 61.45 111.469 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -64.83 -44.67 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.661 1.184 . . . . 62.33 110.35 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 323' ' ' PHE . . . . . 0.484 ' HE2' ' SG ' ' X' ' 331' ' ' CYS . 39.0 m-85 -88.74 -17.05 30.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.812 0.845 . . . . 64.41 111.438 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.68 154.68 28.58 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.287 0.635 . . . . 61.52 110.467 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -62.07 126.2 26.5 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.6 0.76 . . . . 72.25 111.164 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.43 -12.86 56.94 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.79 -0.641 . . . . 31.14 112.125 -170.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.16 171.8 34.36 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.541 0.591 . . . . 73.31 112.395 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 328' ' ' THR . . . . . 0.476 HG23 ' H ' ' X' ' 330' ' ' PHE . 13.1 t -85.79 -3.25 58.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.79 0.836 . . . . 74.45 112.432 -172.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 74.33 -0.64 53.6 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 123.598 0.618 . . . . 42.43 114.276 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 330' ' ' PHE . . . . . 0.476 ' H ' HG23 ' X' ' 328' ' ' THR . 79.7 t80 -115.64 118.38 32.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.237 1.015 . . . . 71.43 110.611 -175.736 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 331' ' ' CYS . . . . . 0.484 ' SG ' ' HE2' ' X' ' 323' ' ' PHE . 87.9 m -83.19 130.49 56.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.405 -0.961 . . . . 52.24 108.405 164.117 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -58.62 -30.6 92.6 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 123.363 2.709 . . . . 65.51 112.85 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.84 -16.39 41.5 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.6 0.76 . . . . 63.51 111.646 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.44 -122.45 26.83 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 119.73 -0.483 . . . . 74.52 112.902 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.59 -30.49 71.51 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.043 0.937 . . . . 75.42 111.282 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.43 2.97 34.01 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.321 -0.854 . . . . 71.53 111.731 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.79 132.24 51.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.623 0.769 . . . . 74.14 110.794 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.29 -12.36 59.09 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.9 0.88 . . . . 62.13 111.649 -172.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.407 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 88.2 m-85 -104.74 160.47 14.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.43 0.692 . . . . 62.15 110.328 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.437 HG21 ' HA ' ' X' ' 316' ' ' LYS . 18.9 t -82.36 132.11 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 114.926 -1.033 . . . . 64.22 111.356 -167.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -92.52 154.63 42.57 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 124.318 1.047 . . . . 64.31 109.13 174.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 342' ' ' PRO . . . . . 0.405 ' HD3' HD11 ' X' ' 319' ' ' LEU . 80.3 Cg_endo -74.84 -15.72 21.01 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.233 1.956 . . . . 53.25 111.241 -177.083 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 13.6 m -109.26 67.27 0.65 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.149 -1.056 . . . . 63.11 108.149 167.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.45 138.34 41.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 114.854 -1.066 . . . . 71.23 109.846 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -135.75 166.63 22.83 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.304 1.041 . . . . 71.32 110.849 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.25 1.131 0 N-CA-C 108.399 -0.963 . . . . 74.32 108.399 168.942 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.422 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.318 0.104 . . . . 74.42 111.171 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.3 68.06 9.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.941 0.897 . . . . 42.34 109.157 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -153.24 70.04 0.85 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.437 -0.949 . . . . 73.52 108.437 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -67.19 -38.62 85.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.425 -1.261 . . . . 72.11 109.764 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -63.56 84.33 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.421 1.488 . . . . 43.02 110.907 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 4.5 t -81.34 -44.34 17.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.215 0.606 . . . . 53.43 109.708 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -144.09 106.86 4.45 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 124.796 1.238 . . . . 74.12 107.986 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.53 136.29 58.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.426 1.079 . . . . 64.21 110.667 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.569 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 60.4 m -67.25 135.4 53.33 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.458 0.703 . . . . 74.44 109.661 171.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -64.37 -20.08 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.994 0.426 . . . . 61.45 110.393 171.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -64.28 -47.19 80.47 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 115.257 -0.883 . . . . 62.33 109.438 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -87.54 1.53 53.3 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.341 -0.845 . . . . 64.41 111.337 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -86.68 159.49 19.17 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.666 0.786 . . . . 61.52 109.926 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 325' ' ' ARG . . . . . 0.4 ' N ' ' HD2' ' X' ' 325' ' ' ARG . 6.9 mpt_? -71.41 121.95 19.5 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.321 0.648 . . . . 72.25 110.048 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 112.04 -20.62 21.52 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 115.686 -0.688 . . . . 31.14 111.691 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.88 166.05 32.34 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 111.23 -0.748 . . . . 73.31 111.23 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 82.1 p -72.73 -28.03 62.41 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.662 0.785 . . . . 74.45 111.85 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 99.93 -6.35 58.44 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 115.536 -0.756 . . . . 42.43 112.468 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -114.75 116.78 29.2 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.644 0.778 . . . . 71.43 110.227 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 72.1 m -76.25 135.36 69.66 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-O 118.679 -0.677 . . . . 52.24 109.639 171.16 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.89 -28.65 78.42 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.825 2.35 . . . . 65.51 113.456 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -80.84 -29.19 35.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.8 0.84 . . . . 63.51 111.503 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.2 -123.18 7.73 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.416 -0.658 . . . . 74.52 112.051 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.03 -34.56 73.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.696 0.798 . . . . 75.42 110.353 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.48 2.89 8.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.206 1.003 . . . . 71.53 112.725 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.13 129.77 40.96 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 74.14 111.277 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.67 -37.96 65.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.221 1.008 . . . . 62.13 111.258 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -70.96 123.19 21.46 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.536 -0.913 . . . . 62.15 108.536 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.19 135.57 26.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 123.623 0.577 . . . . 64.22 110.386 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.569 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 29.2 m170 -82.13 152.85 68.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 114.861 -1.063 . . . . 64.31 110.138 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.22 -14.59 28.6 Favored 'Trans proline' 0 C--N 1.372 1.802 0 C-N-CA 122.593 2.195 . . . . 53.25 111.995 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 22.1 p -92.38 -12.31 32.63 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.391 1.076 . . . . 63.11 112.035 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.9 130.31 45.83 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.351 0.66 . . . . 71.23 109.864 -177.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -150.79 29.47 0.67 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.705 0.802 . . . . 71.32 110.092 -172.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 CA--C 1.557 1.238 0 C-N-CA 123.109 0.564 . . . . 74.32 110.574 -173.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 10.4 p30 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 112.062 0.393 . . . . 74.42 112.062 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 313' ' ' ASN . . . . . 0.591 ' HB2' ' HB3' ' X' ' 316' ' ' LYS . 0.9 OUTLIER -122.26 153.89 38.27 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.056 0.455 . . . . 42.34 111.319 -169.766 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' X' X ' 314' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' X' ' 343' ' ' THR . 25.4 tptp -138.27 88.93 2.35 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 106.574 -1.639 . . . . 73.52 106.574 172.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 58.7 t80 65.17 18.32 11.38 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 125.065 1.346 . . . . 72.11 111.425 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 316' ' ' LYS . . . . . 0.591 ' HB3' ' HB2' ' X' ' 313' ' ' ASN . 24.9 ttpp -67.03 88.63 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-O 122.129 0.966 . . . . 43.02 111.094 -175.572 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 27.7 p -100.96 -54.88 2.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.143 1.377 . . . . 53.43 108.122 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -102.48 95.14 6.06 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.791 -1.095 . . . . 74.12 108.236 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 127.47 32.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 117.87 0.305 . . . . 64.21 110.516 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.547 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 80.7 m -69.38 125.92 28.16 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.602 0.564 . . . . 74.44 110.333 170.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -59.59 -27.41 66.26 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.113 0.965 . . . . 61.45 110.209 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.921 1.288 . . . . 62.33 110.624 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -91.82 -12.14 34.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.2 1.0 . . . . 64.41 111.405 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.69 158.92 29.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.359 0.664 . . . . 61.52 109.631 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -54.97 136.5 47.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.247 1.019 . . . . 72.25 112.132 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 94.71 -9.93 70.83 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.775 -0.648 . . . . 31.14 112.768 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -94.29 -167.72 37.11 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-N 116.945 0.372 . . . . 73.31 112.472 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 74.9 p -116.95 -21.81 8.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.657 0.783 . . . . 74.45 110.595 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 95.63 20.94 25.41 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.293 0.371 . . . . 42.43 112.348 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -114.79 109.83 18.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.565 0.746 . . . . 71.43 110.57 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 97.1 m -83.22 122.67 77.51 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 108.677 -0.86 . . . . 52.24 108.677 165.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.28 -12.45 31.94 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.487 2.124 . . . . 65.51 112.825 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -85.69 -34.05 21.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.73 0.812 . . . . 63.51 110.533 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 59.94 -100.66 0.21 Allowed Glycine 0 C--N 1.352 1.444 0 O-C-N 123.905 0.753 . . . . 74.52 113.304 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.39 -35.54 75.89 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.644 0.778 . . . . 75.42 110.531 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -84.29 12.04 7.34 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.659 -0.701 . . . . 71.53 112.146 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 48.0 t -75.06 119.03 18.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.634 0.774 . . . . 74.14 109.792 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.29 -38.04 89.0 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.486 0.66 . . . . 62.13 110.323 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -80.65 122.17 26.77 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.209 -1.36 . . . . 62.15 110.185 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 6.4 p -74.0 145.1 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 114.757 -1.11 . . . . 64.22 110.01 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.547 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 23.6 m170 -86.7 136.76 34.33 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 115.778 -0.646 . . . . 64.31 109.673 -174.099 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 342' ' ' PRO . . . . . 0.525 ' HB3' ' HD3' ' X' ' 316' ' ' LYS . 12.7 Cg_endo -52.04 -31.07 42.74 Favored 'Trans proline' 0 C--N 1.388 2.64 0 C-N-CA 124.244 3.296 . . . . 53.25 114.04 -170.215 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 343' ' ' THR . . . . . 0.49 ' HA ' ' HB3' ' X' ' 314' ' ' LYS . 87.0 m -141.45 81.14 1.76 Allowed 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.294 -1.373 . . . . 63.11 107.294 165.331 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.1 108.75 8.05 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.998 -0.741 . . . . 71.23 108.998 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -80.63 94.79 6.39 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.542 -0.54 . . . . 71.32 109.542 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.249 1.054 0 C-N-CA 124.319 1.047 . . . . 74.32 108.978 176.989 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 56.8 t30 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 119.117 -0.468 . . . . 74.42 109.954 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 48.4 t30 82.09 -50.67 0.22 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 126.147 1.779 . . . . 42.34 110.595 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -73.08 90.36 1.53 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.463 0.705 . . . . 73.52 110.658 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -124.33 23.87 8.18 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 124.245 1.018 . . . . 72.11 109.775 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -71.66 90.05 1.03 Allowed 'General case' 0 C--N 1.349 0.56 0 N-CA-C 108.306 -0.998 . . . . 43.02 108.306 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 2.3 m -89.85 59.43 4.6 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 122.31 1.053 . . . . 53.43 109.275 -174.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -116.88 56.91 0.79 Allowed 'General case' 0 C--N 1.343 0.299 0 CA-C-N 114.487 -1.233 . . . . 74.12 108.324 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 319' ' ' LEU . . . . . 0.417 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 8.4 tt -62.53 127.42 31.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.331 -1.359 . . . . 64.21 107.331 174.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.647 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 82.6 m -57.89 122.21 12.38 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.718 0.636 . . . . 74.44 111.281 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.98 -22.57 60.67 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.234 0.959 . . . . 61.45 111.261 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.74 -46.71 65.26 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.066 -0.97 . . . . 62.33 109.315 173.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 323' ' ' PHE . . . . . 0.542 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 15.9 m-85 -86.14 2.44 46.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.468 1.107 . . . . 64.41 111.62 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.92 144.69 56.5 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 122.931 0.492 . . . . 61.52 110.259 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -68.35 109.48 3.66 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.611 0.764 . . . . 72.25 108.963 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.44 11.2 24.01 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.152 -0.931 . . . . 31.14 111.611 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -112.42 -158.13 13.76 Favored Glycine 0 C--N 1.345 1.079 0 C-N-CA 123.384 0.516 . . . . 73.31 112.512 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 48.7 p -80.84 -46.47 15.27 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.751 0.786 . . . . 74.45 111.177 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.32 61.95 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 114.61 -1.177 . . . . 42.43 112.177 -177.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -115.96 126.2 53.55 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.277 1.031 . . . . 71.43 109.892 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.83 142.86 52.99 Favored Pre-proline 0 N--CA 1.477 0.923 0 N-CA-C 109.352 -0.61 . . . . 52.24 109.352 167.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -67.39 -12.61 36.43 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.679 2.253 . . . . 65.51 112.629 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.18 -23.37 22.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.863 0.865 . . . . 63.51 110.206 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.88 -132.09 12.6 Favored Glycine 0 C--N 1.353 1.481 0 CA-C-N 115.851 -0.613 . . . . 74.52 111.978 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 36.1 tp -74.83 -14.29 60.67 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.635 0.774 . . . . 75.42 110.145 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -87.11 17.07 4.46 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.182 0.993 . . . . 71.53 111.461 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.7 t -71.95 143.68 49.18 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.429 0.691 . . . . 74.14 112.095 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.47 -31.81 58.0 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.905 0.882 . . . . 62.13 111.367 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.641 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 70.9 m-85 -91.98 154.45 18.79 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.089 -0.959 . . . . 62.15 111.415 -169.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.44 125.4 27.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 124.738 1.215 . . . . 64.22 111.407 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.647 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 61.5 m170 -88.02 126.6 60.54 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.486 0.714 . . . . 64.31 109.874 174.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 342' ' ' PRO . . . . . 0.417 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 54.5 Cg_endo -67.62 -32.06 31.71 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.743 2.295 . . . . 53.25 110.84 174.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 39.3 p -66.23 -31.61 72.53 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.536 1.134 . . . . 63.11 110.631 177.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.35 100.01 3.65 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.989 -1.115 . . . . 71.23 107.989 171.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -80.52 149.18 30.09 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 123.65 0.78 . . . . 71.32 111.172 -171.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 CA--C 1.553 1.077 0 C-N-CA 123.498 0.719 . . . . 74.32 109.89 -178.909 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.545 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.577 -0.527 . . . . 74.42 109.577 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -138.46 97.0 3.26 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.009 0.523 . . . . 42.34 109.79 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -121.55 24.34 9.88 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.357 1.063 . . . . 73.52 110.906 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -159.6 72.63 0.53 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.505 0.669 . . . . 72.11 110.161 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.98 94.96 1.7 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.296 -1.002 . . . . 43.02 108.296 168.526 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 8.8 m 55.37 71.18 0.56 Allowed 'General case' 0 C--O 1.243 0.76 0 C-N-CA 124.698 1.199 . . . . 53.43 110.646 -174.664 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 318' ' ' LYS . . . . . 0.52 ' HB2' ' HA ' ' X' ' 339' ' ' PHE . 45.1 mtmt -75.98 88.52 2.94 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.326 -0.852 . . . . 74.12 109.293 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.94 117.44 3.44 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.099 0.874 . . . . 64.21 108.95 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 89.0 m -63.98 127.49 31.64 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.787 -0.642 . . . . 74.44 111.441 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -61.9 -24.69 67.1 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.272 0.983 . . . . 61.45 110.59 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.42 -46.54 82.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.998 0.919 . . . . 62.33 109.769 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 323' ' ' PHE . . . . . 0.462 ' HE2' ' SG ' ' X' ' 331' ' ' CYS . 31.7 m-85 -89.4 0.22 57.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.92 0.888 . . . . 64.41 111.71 -176.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.87 157.61 37.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.846 0.458 . . . . 61.52 110.084 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -68.02 120.29 14.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.63 0.772 . . . . 72.25 110.556 -177.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.08 -15.16 56.82 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 111.866 -0.494 . . . . 31.14 111.866 -171.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -85.06 174.53 49.5 Favored Glycine 0 C--N 1.346 1.093 0 C-N-CA 123.386 0.517 . . . . 73.31 112.16 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.2 p -70.58 -51.13 30.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.397 0.679 . . . . 74.45 111.715 -175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 101.14 4.25 53.9 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-N 115.346 -0.843 . . . . 42.43 111.67 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -113.69 121.22 43.45 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.974 0.909 . . . . 71.43 109.606 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 331' ' ' CYS . . . . . 0.462 ' SG ' ' HE2' ' X' ' 323' ' ' PHE . 87.2 m -85.22 142.89 38.61 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 122.971 0.509 . . . . 52.24 110.318 171.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.33 -23.91 58.4 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 123.093 2.528 . . . . 65.51 112.952 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -91.04 -20.41 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.465 0.706 . . . . 63.51 110.761 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 66.95 -109.02 2.68 Favored Glycine 0 C--N 1.354 1.554 0 O-C-N 123.538 0.524 . . . . 74.52 112.869 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.7 tp -75.6 -32.77 60.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.498 0.719 . . . . 75.42 110.281 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -76.46 7.96 3.94 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.255 0.622 . . . . 71.53 112.188 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 337' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 45.5 t -66.53 119.37 11.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.642 0.777 . . . . 74.14 111.648 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.25 -26.46 67.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.222 1.009 . . . . 62.13 110.918 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.52 ' HA ' ' HB2' ' X' ' 318' ' ' LYS . 55.2 m-85 -81.58 122.01 27.04 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.231 1.013 . . . . 62.15 108.624 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.93 132.21 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.905 0.882 . . . . 64.22 111.067 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.808 ' HB2' ' HB3' ' X' ' 344' ' ' ASP . 10.4 m80 -88.04 118.77 70.02 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.892 -1.151 . . . . 64.31 107.892 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.41 -37.72 96.59 Favored 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.187 2.591 . . . . 53.25 114.056 -171.555 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 8.9 m -86.19 -33.19 20.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.471 0.708 . . . . 63.11 110.997 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 344' ' ' ASP . . . . . 0.808 ' HB3' ' HB2' ' X' ' 341' ' ' HIS . 19.4 t70 -85.1 93.12 8.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.578 0.704 . . . . 71.23 109.748 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -83.47 135.7 34.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.824 0.85 . . . . 71.32 111.382 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.254 1.312 0 N-CA-C 107.12 -1.437 . . . . 74.32 107.12 168.624 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.237 -0.283 . . . . 74.42 110.237 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -66.17 105.5 1.41 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.471 0.708 . . . . 42.34 109.308 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -111.12 57.55 0.62 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.745 0.818 . . . . 73.52 110.044 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -89.64 29.33 1.16 Allowed 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 115.459 -0.791 . . . . 72.11 108.95 159.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.75 143.38 1.26 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.214 1.406 . . . . 43.02 107.906 -167.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 98.5 m -147.71 -63.48 0.27 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 106.605 -1.628 . . . . 53.43 106.605 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -138.81 113.37 8.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.033 -1.099 . . . . 74.12 108.033 163.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.17 135.96 52.95 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.602 -0.888 . . . . 64.21 108.602 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.556 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.3 m -63.59 128.91 37.96 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.831 0.707 . . . . 74.44 111.08 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -59.14 -23.92 62.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.154 1.382 . . . . 61.45 111.342 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.53 -46.88 71.51 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.244 -0.889 . . . . 62.33 109.397 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -75.13 -25.13 58.18 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.771 0.828 . . . . 64.41 111.103 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.41 127.58 33.39 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.654 -0.869 . . . . 61.52 108.654 171.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.11 138.42 58.39 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.737 0.648 . . . . 72.25 110.346 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.0 -22.19 23.71 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 109.904 -1.278 . . . . 31.14 109.904 -162.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.28 -147.35 11.92 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 110.895 -0.882 . . . . 73.31 110.895 165.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 34.9 p -107.4 -21.01 13.08 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.899 0.88 . . . . 74.45 111.632 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 90.73 -12.69 67.93 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.669 1.128 . . . . 42.43 112.728 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -118.05 132.84 56.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.663 1.185 . . . . 71.43 110.021 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 77.3 m -81.92 121.72 79.41 Favored Pre-proline 0 N--CA 1.475 0.78 0 CA-C-O 118.22 -0.895 . . . . 52.24 109.245 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.22 -33.03 89.69 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.956 3.104 . . . . 65.51 113.629 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -78.05 -18.33 55.94 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.169 0.988 . . . . 63.51 111.121 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.17 -129.37 9.06 Favored Glycine 0 C--N 1.35 1.319 0 N-CA-C 110.856 -0.897 . . . . 74.52 110.856 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.02 -21.4 64.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.075 0.95 . . . . 75.42 111.42 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -69.83 -12.18 61.43 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.14 0.976 . . . . 71.53 112.532 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.82 127.36 28.12 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.341 1.056 . . . . 74.14 112.368 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.18 -33.58 71.12 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.85 1.26 . . . . 62.13 111.813 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -80.36 131.19 35.59 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.527 -0.916 . . . . 62.15 108.527 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.07 142.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 O-C-N 123.678 0.611 . . . . 64.22 110.106 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.556 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 24.9 m80 -90.93 142.52 27.57 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.62 0.768 . . . . 64.31 109.992 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -68.92 -25.55 32.48 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.322 2.014 . . . . 53.25 111.476 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 10.0 m -96.21 89.09 5.0 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 108.704 -0.85 . . . . 63.11 108.704 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -140.54 93.44 2.62 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 106.977 -1.49 . . . . 71.23 106.977 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -115.66 17.87 16.03 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.813 0.845 . . . . 71.32 110.763 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 CA--C 1.547 0.863 0 C-N-CA 124.409 1.083 . . . . 74.32 109.923 -175.707 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.574 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.204 0.526 . . . . 74.42 109.835 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.35 156.68 18.55 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.754 0.822 . . . . 42.34 109.728 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 37.35 0.65 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.755 0.822 . . . . 73.52 110.028 174.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -55.81 -67.28 0.3 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.191 1.396 . . . . 72.11 112.011 -171.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 316' ' ' LYS . . . . . 0.491 ' HG3' ' HB ' ' X' ' 340' ' ' VAL . 21.5 tptm -96.64 -25.77 15.45 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.653 0.381 . . . . 43.02 110.107 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 29.3 m -63.34 86.03 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.777 0.831 . . . . 53.43 111.12 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -147.89 106.1 3.75 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 106.585 -1.635 . . . . 74.12 106.585 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.96 134.04 46.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.736 0.414 . . . . 64.21 110.602 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.557 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 60.1 m -69.12 128.54 37.0 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.22 -0.9 . . . . 74.44 110.635 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -25.35 68.17 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.244 0.545 . . . . 61.45 109.547 168.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.9 -45.26 86.66 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 114.672 -1.149 . . . . 62.33 110.906 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.59 9.5 18.32 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.967 0.728 . . . . 64.41 112.967 -172.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.42 121.43 15.75 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.721 -0.844 . . . . 61.52 108.721 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.76 125.28 23.83 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.539 0.736 . . . . 72.25 110.772 -177.008 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.91 -19.55 30.21 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.356 -0.838 . . . . 31.14 111.654 -168.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.49 -158.83 34.99 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 123.473 0.558 . . . . 73.31 112.575 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 9.7 t -66.88 -36.23 81.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.509 0.724 . . . . 74.45 111.374 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 78.09 -9.48 32.29 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.544 -0.753 . . . . 42.43 114.791 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -117.11 137.08 52.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.652 0.781 . . . . 71.43 110.199 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 84.6 m -90.9 147.19 35.37 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.919 -0.562 . . . . 52.24 110.477 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.85 -26.27 67.45 Favored 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.621 2.214 . . . . 65.51 112.749 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -94.5 -23.54 17.66 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.605 0.762 . . . . 63.51 110.601 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 62.74 -103.62 0.66 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 123.764 0.665 . . . . 74.52 112.962 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.64 -32.31 73.91 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.163 0.985 . . . . 75.42 110.642 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -92.14 17.55 9.38 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.063 -0.972 . . . . 71.53 111.919 -173.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 337' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 50.4 t -80.35 121.3 25.52 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.596 0.759 . . . . 74.14 110.934 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -23.72 60.43 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.3 0.64 . . . . 62.13 110.849 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.499 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 98.5 m-85 -71.27 112.6 7.54 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.701 -1.222 . . . . 62.15 107.701 165.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.491 ' HB ' ' HG3' ' X' ' 316' ' ' LYS . 6.0 p -75.71 144.81 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.131 0.491 . . . . 64.22 110.199 -174.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.557 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 21.7 m170 -90.08 139.47 27.28 Favored Pre-proline 0 N--CA 1.471 0.576 0 C-N-CA 123.689 0.796 . . . . 64.31 110.035 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.73 -24.02 25.7 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.321 2.014 . . . . 53.25 112.422 -173.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 38.4 p -69.52 -28.4 66.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.129 0.972 . . . . 63.11 112.03 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -157.02 98.65 1.77 Allowed 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.068 0.937 . . . . 71.23 108.984 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -91.81 102.95 15.55 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.564 -0.744 . . . . 71.32 110.242 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.251 1.155 0 N-CA-C 108.055 -1.091 . . . . 74.32 108.055 168.77 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.457 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.593 0.235 . . . . 74.42 110.441 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -135.02 129.95 34.92 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.628 1.171 . . . . 42.34 108.215 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -87.37 59.13 5.36 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.624 0.77 . . . . 73.52 110.763 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -110.02 -9.51 14.74 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.26 0.624 . . . . 72.11 110.714 174.385 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 316' ' ' LYS . . . . . 0.527 ' HD2' ' H ' ' X' ' 316' ' ' LYS . 0.0 OUTLIER -75.62 -9.28 58.45 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.989 0.516 . . . . 43.02 110.13 169.077 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 8.8 t -115.16 159.38 20.99 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.433 1.093 . . . . 53.43 109.426 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 318' ' ' LYS . . . . . 0.528 ' HG3' ' HA ' ' X' ' 339' ' ' PHE . 8.4 ptpp? -142.35 84.5 1.87 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.909 -0.775 . . . . 74.12 108.909 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.94 124.78 20.45 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.39 -0.823 . . . . 64.21 110.899 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.531 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 91.6 m -62.77 120.87 12.09 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.643 0.777 . . . . 74.44 111.465 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -57.08 -27.66 61.93 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.837 0.855 . . . . 61.45 111.011 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 322' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' X' ' 331' ' ' CYS . 1.5 m-20 -64.84 -45.24 86.95 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.181 0.992 . . . . 62.33 110.195 176.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 323' ' ' PHE . . . . . 0.51 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 9.9 m-85 -81.49 -14.85 56.49 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.628 -0.714 . . . . 64.41 111.581 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.55 156.32 36.95 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.215 0.606 . . . . 61.52 110.411 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -66.29 127.2 31.31 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.402 0.681 . . . . 72.25 110.784 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.58 24.62 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 110.831 -0.907 . . . . 31.14 110.831 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.38 168.93 31.26 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.67 -0.572 . . . . 73.31 111.67 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 328' ' ' THR . . . . . 0.532 HG23 ' H ' ' X' ' 330' ' ' PHE . 10.2 t -84.18 -14.33 50.42 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.451 0.7 . . . . 74.45 111.359 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 329' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 89.28 -0.56 81.38 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 116.34 -0.391 . . . . 42.43 113.356 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 330' ' ' PHE . . . . . 0.532 ' H ' HG23 ' X' ' 328' ' ' THR . 81.8 t80 -113.71 129.01 56.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.551 1.141 . . . . 71.43 109.774 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 331' ' ' CYS . . . . . 0.41 ' HA ' HD22 ' X' ' 322' ' ' ASN . 90.0 m -89.44 133.21 35.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 123.189 0.596 . . . . 52.24 109.477 169.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.02 -27.5 84.78 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 122.569 2.18 . . . . 65.51 112.122 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -79.72 -30.5 40.93 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.869 -1.06 . . . . 63.51 110.864 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 65.55 -112.65 5.14 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.422 0.451 . . . . 74.52 113.11 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 52.8 tp -69.72 -32.07 70.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.532 0.733 . . . . 75.42 110.164 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -77.1 -1.77 30.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.761 0.824 . . . . 71.53 111.666 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 337' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 49.5 t -68.16 119.68 13.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.755 0.822 . . . . 74.14 110.782 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.44 -31.46 69.79 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.815 0.846 . . . . 62.13 109.932 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.538 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 79.7 m-85 -67.31 126.62 29.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.71 -0.677 . . . . 62.15 110.187 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.431 ' H ' ' HG3' ' X' ' 318' ' ' LYS . 84.4 t -67.91 130.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.89 1.276 . . . . 64.22 111.315 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.677 ' HB2' ' HB3' ' X' ' 344' ' ' ASP . 20.5 m170 -89.6 118.89 69.43 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 108.859 -0.793 . . . . 64.31 108.859 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.21 -18.24 60.57 Favored 'Trans proline' 0 C--N 1.372 1.768 0 C-N-CA 123.343 2.695 . . . . 53.25 113.486 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 13.8 t -99.96 1.13 42.34 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.922 0.889 . . . . 63.11 110.942 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 344' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' X' ' 341' ' ' HIS . 28.8 t70 -124.64 161.1 26.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.446 0.699 . . . . 71.23 110.831 -173.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 133.7 50.78 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.96 0.904 . . . . 71.32 111.26 -178.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 123.845 0.858 . . . . 74.32 109.002 176.258 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.361 -0.237 . . . . 74.42 110.361 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -141.37 164.25 30.76 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.077 0.951 . . . . 42.34 109.067 171.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 59.21 26.19 14.92 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.352 1.061 . . . . 73.52 112.457 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -64.72 -34.03 77.36 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.648 0.779 . . . . 72.11 112.275 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.41 -42.27 71.85 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.859 0.464 . . . . 43.02 110.996 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 317' ' ' THR . . . . . 0.531 ' HA ' ' HB ' ' X' ' 340' ' ' VAL . 59.5 p -71.42 87.89 0.88 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 121.616 0.722 . . . . 53.43 110.706 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -112.66 96.44 5.98 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.588 -1.264 . . . . 74.12 107.588 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.42 118.06 4.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.898 0.879 . . . . 64.21 110.013 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 86.9 m -63.15 124.61 21.62 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 122.953 0.501 . . . . 74.44 111.531 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -59.08 -28.64 66.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.797 0.839 . . . . 61.45 111.189 172.44 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.26 -42.0 80.24 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.542 0.737 . . . . 62.33 110.152 174.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 323' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 11.1 m-85 -90.2 2.81 54.98 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.534 0.733 . . . . 64.41 111.948 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.58 159.78 29.02 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.266 0.626 . . . . 61.52 110.221 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -66.27 109.8 2.8 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.411 -0.589 . . . . 72.25 109.411 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.85 14.45 17.3 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.776 -0.647 . . . . 31.14 112.224 -174.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -99.36 -178.35 31.38 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 116.98 0.39 . . . . 73.31 112.41 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 32.3 p -71.09 -39.97 71.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.391 0.676 . . . . 74.45 110.375 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.7 -8.18 61.58 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 114.483 -1.235 . . . . 42.43 112.341 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -114.54 119.62 37.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.4 0.68 . . . . 71.43 110.213 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 68.6 m -77.53 124.0 86.72 Favored Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 109.338 -0.616 . . . . 52.24 109.338 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.05 -23.82 76.05 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.576 2.184 . . . . 65.51 113.095 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -68.32 -21.01 64.78 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.16 0.984 . . . . 63.51 111.158 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.08 -127.48 11.04 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 116.215 -0.448 . . . . 74.52 112.454 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.2 tp -72.94 -26.56 61.43 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.305 0.642 . . . . 75.42 110.449 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -77.91 4.23 12.54 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.83 0.852 . . . . 71.53 112.314 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.4 t -65.02 116.45 6.45 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.77 0.319 . . . . 74.14 110.832 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.11 -34.18 59.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.47 0.708 . . . . 62.13 111.085 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.526 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 78.3 m-85 -60.19 109.57 1.01 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.151 -0.931 . . . . 62.15 109.517 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.531 ' HB ' ' HA ' ' X' ' 317' ' ' THR . 89.6 t -64.76 118.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.853 0.72 . . . . 64.22 110.528 -174.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.506 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.8 m170 -68.24 148.19 98.27 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 114.824 -1.08 . . . . 64.31 109.906 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.72 -27.81 85.82 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.484 2.123 . . . . 53.25 112.594 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 9.0 t -86.78 -17.01 34.58 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.988 0.915 . . . . 63.11 111.412 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -87.6 149.55 24.24 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.633 0.773 . . . . 71.23 111.623 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.94 -0.4 0.61 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.226 -0.897 . . . . 71.32 111.062 -178.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 CA--C 1.557 1.232 0 CA-C-O 117.485 -1.245 . . . . 74.32 110.215 -173.369 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.536 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 110.021 -0.363 . . . . 74.42 110.021 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -69.26 -40.09 78.04 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.271 0.628 . . . . 42.34 109.825 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -89.91 35.43 0.84 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.139 0.976 . . . . 73.52 110.882 176.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -50.59 -46.37 57.83 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.72 1.208 . . . . 72.11 113.06 -172.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 316' ' ' LYS . . . . . 0.628 ' HD3' ' H ' ' X' ' 316' ' ' LYS . 0.2 OUTLIER -70.39 -47.58 60.2 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.905 -0.589 . . . . 43.02 110.697 -179.218 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 317' ' ' THR . . . . . 0.436 HG23 ' HG2' ' X' ' 316' ' ' LYS . 32.2 p -79.52 87.86 5.1 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.518 0.727 . . . . 53.43 111.236 -173.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -103.98 111.89 24.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.54 0.736 . . . . 74.12 109.341 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.16 125.04 21.99 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.748 0.419 . . . . 64.21 110.165 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 81.7 m -65.22 127.11 30.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.891 0.744 . . . . 74.44 111.733 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.37 -19.46 65.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.086 0.954 . . . . 61.45 110.634 170.362 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -69.31 -44.92 70.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.574 1.15 . . . . 62.33 109.414 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.86 -13.21 57.93 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.919 -1.037 . . . . 64.41 111.25 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.71 120.43 17.3 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.252 -0.647 . . . . 61.52 109.252 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -64.74 146.5 54.69 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.447 0.699 . . . . 72.25 112.467 -171.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.35 4.18 35.2 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 114.459 -1.246 . . . . 31.14 111.487 -165.692 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -134.51 -147.64 5.62 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 123.441 0.543 . . . . 73.31 112.071 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 62.2 p -76.22 -37.16 58.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.456 0.702 . . . . 74.45 111.852 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 84.92 -7.38 74.9 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.587 -0.733 . . . . 42.43 111.899 -170.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -114.88 133.01 56.33 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.265 1.026 . . . . 71.43 110.376 -176.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 93.8 m -82.87 125.07 76.19 Favored Pre-proline 0 N--CA 1.469 0.52 0 N-CA-C 108.745 -0.835 . . . . 52.24 108.745 169.368 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.1 -22.43 67.58 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.583 2.189 . . . . 65.51 112.335 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 333' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 58.1 m-85 -75.84 -27.74 57.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.892 0.877 . . . . 63.51 110.935 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 71.96 -117.94 6.69 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 115.644 -0.707 . . . . 74.52 112.174 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.61 -22.39 60.97 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.759 0.824 . . . . 75.42 110.424 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -88.43 19.74 3.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.855 0.862 . . . . 71.53 110.902 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 337' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 46.7 t -65.42 135.01 54.7 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.96 0.904 . . . . 74.14 111.75 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.04 -44.27 85.11 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.643 -0.708 . . . . 62.13 109.707 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.653 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 34.5 m-85 -85.5 139.6 31.34 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.185 -0.916 . . . . 62.15 110.039 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 69.1 t -79.04 132.56 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.486 0.714 . . . . 64.22 111.262 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.626 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.0 m170 -81.71 134.87 49.82 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.397 -0.819 . . . . 64.31 108.99 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -64.63 -17.91 61.05 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.654 2.236 . . . . 53.25 112.116 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 26.8 m -128.8 62.66 1.48 Allowed 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 107.576 -1.268 . . . . 63.11 107.576 171.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.29 90.81 0.23 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.142 -0.935 . . . . 71.23 110.546 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -137.32 150.24 47.62 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.052 0.941 . . . . 71.32 109.571 -177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 108.797 -0.816 . . . . 74.32 108.797 178.645 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.538 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.295 -0.632 . . . . 74.42 109.295 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -83.86 71.62 10.45 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.742 0.782 . . . . 42.34 109.631 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -118.92 25.39 10.24 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.356 -0.838 . . . . 73.52 109.98 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -71.18 -46.26 61.74 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.414 0.685 . . . . 72.11 109.771 -176.425 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.25 -23.61 51.23 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.688 -0.687 . . . . 43.02 110.136 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 317' ' ' THR . . . . . 0.827 ' HA ' ' HB ' ' X' ' 340' ' ' VAL . 24.9 m -76.56 81.68 3.23 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 121.503 0.668 . . . . 53.43 110.028 178.619 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -83.58 104.51 13.77 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 106.054 -1.832 . . . . 74.12 106.054 165.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 38.1 tp -59.66 124.19 19.31 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.874 0.734 . . . . 64.21 109.432 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 59.4 m -64.43 131.24 46.6 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.4 1.063 . . . . 74.44 109.92 176.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -62.41 -24.33 67.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.77 0.828 . . . . 61.45 110.792 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.57 -44.24 74.87 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.299 1.04 . . . . 62.33 110.046 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -81.26 -6.05 58.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.03 0.932 . . . . 64.41 112.15 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.93 129.63 40.5 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.594 -0.891 . . . . 61.52 108.594 169.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -57.2 127.61 32.86 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.9 0.75 . . . . 72.25 111.903 -166.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.19 1.46 58.19 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.819 -0.628 . . . . 31.14 112.743 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.51 -146.07 10.64 Favored Glycine 0 C--N 1.357 1.695 0 N-CA-C 112.169 -0.372 . . . . 73.31 112.169 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 67.3 p -84.48 -41.94 16.08 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.568 0.699 . . . . 74.45 109.685 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.39 -8.31 75.06 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 114.987 -1.006 . . . . 42.43 113.102 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -115.52 123.54 48.77 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.545 1.138 . . . . 71.43 108.871 176.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.69 130.32 68.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 109.031 -0.729 . . . . 52.24 109.031 168.105 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.65 -24.98 48.24 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.999 2.466 . . . . 65.51 113.59 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -70.95 -44.67 65.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.781 0.832 . . . . 63.51 110.032 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.55 -121.45 6.24 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.763 -0.653 . . . . 74.52 111.972 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.2 tp -74.96 -28.06 60.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.972 0.909 . . . . 75.42 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -84.23 14.69 4.08 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 71.53 112.019 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.48 116.58 11.99 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.763 -0.829 . . . . 74.14 108.763 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.41 -34.14 76.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.731 0.644 . . . . 62.13 110.349 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.454 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 66.1 m-85 -64.68 104.78 0.86 Allowed 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.2 0.937 . . . . 62.15 108.537 177.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.827 ' HB ' ' HA ' ' X' ' 317' ' ' THR . 96.3 t -66.95 128.16 29.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 115.189 -0.914 . . . . 64.22 110.745 -172.082 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.442 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 24.5 m170 -80.75 150.14 68.91 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 114.633 -1.167 . . . . 64.31 109.999 -174.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -77.12 -2.18 12.39 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.716 2.277 . . . . 53.25 112.809 -174.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 24.6 p -93.81 32.21 1.48 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.754 1.222 . . . . 63.11 110.941 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.96 118.35 6.15 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.333 1.053 . . . . 71.23 110.483 175.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -134.34 174.8 10.12 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.119 0.968 . . . . 71.32 109.212 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 CA--C 1.554 1.119 0 CA-C-O 118.971 -0.538 . . . . 74.32 110.272 174.483 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 33.5 t30 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 110.223 -0.288 . . . . 74.42 110.223 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 313' ' ' ASN . . . . . 0.631 HD21 ' HD2' ' X' ' 316' ' ' LYS . 37.6 t30 63.35 99.47 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.23 1.412 . . . . 42.34 112.433 173.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.02 -5.17 5.61 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.59 0.756 . . . . 73.52 110.577 167.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 315' ' ' TYR . . . . . 0.419 ' O ' ' HG3' ' X' ' 318' ' ' LYS . 13.5 p90 -68.36 -21.5 64.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.726 0.41 . . . . 72.11 110.671 -174.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 316' ' ' LYS . . . . . 0.631 ' HD2' HD21 ' X' ' 313' ' ' ASN . 91.5 mttt -74.03 20.24 0.11 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.391 0.886 . . . . 43.02 113.391 -176.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 35.0 p -94.43 33.72 1.38 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.257 0.623 . . . . 53.43 110.211 166.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 318' ' ' LYS . . . . . 0.738 ' HB2' ' H ' ' X' ' 340' ' ' VAL . 26.2 mtpp -77.15 62.84 2.3 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 108.806 -0.812 . . . . 74.12 108.806 172.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.99 113.55 3.16 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.399 0.679 . . . . 64.21 110.161 -169.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.546 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 58.1 m -63.16 131.82 49.76 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 124.317 1.01 . . . . 74.44 110.955 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -58.09 -27.66 63.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.286 0.991 . . . . 61.45 111.091 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.42 -44.55 78.49 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.255 0.622 . . . . 62.33 110.298 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 323' ' ' PHE . . . . . 0.477 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 23.5 m-85 -81.44 -4.58 56.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.815 0.846 . . . . 64.41 111.616 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.89 148.92 43.92 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.839 -0.43 . . . . 61.52 109.839 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -61.54 125.29 23.26 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 123.879 0.737 . . . . 72.25 110.976 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.38 -9.26 49.2 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.765 -0.652 . . . . 31.14 112.26 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.76 -173.0 41.06 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 123.314 0.483 . . . . 73.31 112.106 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 76.5 p -76.21 -33.81 59.25 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.968 0.507 . . . . 74.45 110.622 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 329' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 91.34 -1.16 76.07 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 114.975 -1.011 . . . . 42.43 112.168 -173.286 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.08 122.55 45.48 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.333 1.053 . . . . 71.43 110.901 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 95.2 m -81.79 141.48 47.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.15 0.58 . . . . 52.24 109.505 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.03 -33.56 91.72 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.878 2.385 . . . . 65.51 112.629 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -82.24 -18.33 42.89 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.633 -0.712 . . . . 63.51 111.383 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 72.48 -123.25 9.02 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-O 119.728 -0.485 . . . . 74.52 111.905 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.5 tp -73.8 -19.35 60.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.104 0.562 . . . . 75.42 110.891 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -72.66 -14.02 61.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.811 0.445 . . . . 71.53 111.958 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 37.6 t -58.83 119.71 7.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.84 0.856 . . . . 74.14 110.749 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.27 -36.1 82.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.38 0.672 . . . . 62.13 110.663 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.497 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 47.3 m-85 -69.87 121.59 17.6 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.511 -0.768 . . . . 62.15 109.166 177.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.738 ' H ' ' HB2' ' X' ' 318' ' ' LYS . 25.8 t -80.31 136.5 23.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 123.554 0.741 . . . . 64.22 110.633 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.546 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.4 m170 -86.78 132.34 42.54 Favored Pre-proline 0 C--O 1.239 0.509 0 CA-C-N 115.063 -0.971 . . . . 64.31 110.462 -169.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -57.29 -30.61 88.21 Favored 'Trans proline' 0 C--N 1.384 2.415 0 C-N-CA 123.141 2.561 . . . . 53.25 110.812 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 10.7 m -82.47 75.39 9.38 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.782 -1.099 . . . . 63.11 108.302 166.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.22 98.72 9.53 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.637 -0.71 . . . . 71.23 109.602 -177.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -86.98 124.67 33.43 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.196 0.598 . . . . 71.32 110.122 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 CA--C 1.553 1.066 0 N-CA-C 107.589 -1.263 . . . . 74.32 107.589 -176.871 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.347 0.118 . . . . 74.42 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -92.39 113.79 26.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.373 0.669 . . . . 42.34 110.732 -171.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 314' ' ' LYS . . . . . 0.457 ' HB3' ' HB ' ' X' ' 317' ' ' THR . 0.0 OUTLIER -109.6 51.9 0.74 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.944 0.897 . . . . 73.52 108.772 170.763 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -58.2 -54.71 43.87 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.374 -1.285 . . . . 72.11 111.928 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 316' ' ' LYS . . . . . 0.535 ' HA ' ' HE3' ' X' ' 316' ' ' LYS . 0.1 OUTLIER -87.78 -13.96 40.89 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.768 0.427 . . . . 43.02 110.58 -178.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' X' X ' 317' ' ' THR . . . . . 0.457 ' HB ' ' HB3' ' X' ' 314' ' ' LYS . 5.4 m -92.94 46.79 1.24 Allowed 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 108.909 -0.775 . . . . 53.43 108.909 175.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -84.52 73.82 10.48 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 108.399 -0.963 . . . . 74.12 108.399 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 319' ' ' LEU . . . . . 0.401 HD23 ' O ' ' X' ' 320' ' ' CYS . 7.7 tt -70.13 129.38 39.25 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.297 -1.32 . . . . 64.21 109.748 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 36.2 m -58.82 125.85 25.21 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.73 0.812 . . . . 74.44 110.812 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -62.06 -22.33 65.67 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.158 0.583 . . . . 61.45 110.105 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -63.03 -42.92 99.9 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.397 1.079 . . . . 62.33 110.213 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -84.98 -17.68 36.87 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.948 0.899 . . . . 64.41 111.335 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -76.65 144.26 39.59 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.062 -0.718 . . . . 61.52 109.062 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -62.56 141.29 58.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.649 0.78 . . . . 72.25 111.184 -174.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 100.56 -19.81 50.93 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.886 -0.886 . . . . 31.14 110.886 -163.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.25 -172.08 44.47 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 123.544 0.592 . . . . 73.31 111.75 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 71.6 p -94.42 -11.39 29.91 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.368 0.667 . . . . 74.45 111.851 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.63 69.53 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.726 -0.67 . . . . 42.43 113.304 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -116.13 134.68 54.67 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.322 1.049 . . . . 71.43 109.445 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.19 136.35 35.93 Favored Pre-proline 0 N--CA 1.472 0.632 0 CA-C-O 118.161 -0.924 . . . . 52.24 109.108 168.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.12 -23.12 72.52 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.95 2.434 . . . . 65.51 113.273 -174.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -90.43 -17.85 26.46 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.059 0.944 . . . . 63.51 111.591 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.21 -119.23 6.2 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.713 -0.493 . . . . 74.52 112.184 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.0 tp -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.14 0.576 . . . . 75.42 110.52 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -72.55 -10.63 60.02 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.077 0.551 . . . . 71.53 112.466 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.35 118.36 5.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.293 0.637 . . . . 74.14 111.088 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.97 -25.14 61.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.282 0.989 . . . . 62.13 111.241 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.409 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 65.0 m-85 -73.35 131.28 41.7 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 107.749 -1.204 . . . . 62.15 107.749 169.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.41 HG11 ' O ' ' X' ' 316' ' ' LYS . 14.9 p -79.55 143.24 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 121.198 0.523 . . . . 64.22 110.785 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.571 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 19.7 m170 -89.03 140.52 29.07 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.281 -0.872 . . . . 64.31 108.784 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.18 -38.22 87.82 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 123.589 2.859 . . . . 53.25 112.267 -176.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 93.9 m -119.87 91.57 3.58 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.163 -1.421 . . . . 63.11 107.163 164.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.59 152.37 20.88 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.026 -0.534 . . . . 71.23 110.486 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -165.65 -177.43 4.36 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.75 1.22 . . . . 71.32 107.786 170.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 C--O 1.25 1.085 0 N-CA-C 107.176 -1.416 . . . . 74.32 107.176 163.116 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 37.8 p30 . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.586 -0.153 . . . . 74.42 110.586 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -127.08 157.6 39.23 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.532 0.733 . . . . 42.34 110.508 177.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 314' ' ' LYS . . . . . 0.482 ' HA ' ' OG1' ' X' ' 317' ' ' THR . 95.0 mttt -89.28 53.87 2.77 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.731 0.812 . . . . 73.52 112.375 -170.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -111.41 -52.79 2.76 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.394 -0.965 . . . . 72.11 108.394 170.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 316' ' ' LYS . . . . . 0.588 ' HA ' HG11 ' X' ' 340' ' ' VAL . 21.3 pttm -93.75 23.15 4.94 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.786 -0.643 . . . . 43.02 111.939 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 317' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' X' ' 314' ' ' LYS . 60.8 p -110.31 2.75 19.34 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.038 0.535 . . . . 53.43 110.915 169.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -78.47 72.08 4.97 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.602 0.761 . . . . 74.12 110.711 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.63 141.16 55.59 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 64.21 112.058 -175.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.467 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 98.9 m -80.32 133.36 35.94 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.02 -0.536 . . . . 74.44 111.274 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -63.6 -26.54 68.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.479 -1.237 . . . . 61.45 110.783 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -65.35 -40.51 93.7 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.727 0.811 . . . . 62.33 109.558 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -88.15 5.49 41.07 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.296 1.038 . . . . 64.41 111.804 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -87.78 157.09 19.12 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.699 0.8 . . . . 61.52 109.603 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.51 121.34 15.11 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.508 0.323 . . . . 72.25 110.434 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.59 26.15 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 116.108 -0.496 . . . . 31.14 111.989 -170.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.1 -177.39 48.97 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.941 -0.464 . . . . 73.31 111.941 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 3.8 m -89.56 -12.02 41.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.387 0.675 . . . . 74.45 111.352 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.53 -9.03 59.99 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.351 -0.841 . . . . 42.43 113.944 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -118.2 139.19 51.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.125 0.97 . . . . 71.43 109.668 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 86.5 m -92.04 134.77 28.1 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 108.601 -0.888 . . . . 52.24 108.601 167.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -57.34 -24.76 61.93 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.496 2.797 . . . . 65.51 114.617 -171.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -88.34 -8.58 54.88 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.655 0.782 . . . . 63.51 112.086 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.45 -127.53 10.75 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.741 -0.543 . . . . 74.52 111.741 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.35 -19.37 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.62 0.768 . . . . 75.42 110.464 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -75.39 1.22 14.46 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.017 0.927 . . . . 71.53 112.307 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 27.1 t -61.87 140.62 58.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.504 0.721 . . . . 74.14 111.875 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -56.77 -53.54 56.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.833 1.253 . . . . 62.13 111.12 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.441 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 85.6 m-85 -84.56 140.19 31.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 114.911 -1.04 . . . . 62.15 109.998 -178.439 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.588 HG11 ' HA ' ' X' ' 316' ' ' LYS . 7.6 p -78.04 141.79 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.679 0.791 . . . . 64.22 110.328 -178.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.467 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 11.0 m80 -92.7 151.5 41.04 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 123.478 0.711 . . . . 64.31 110.195 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.07 -19.45 56.25 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.78 2.32 . . . . 53.25 113.073 169.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 65.8 p -73.96 -26.16 60.33 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.439 0.696 . . . . 63.11 111.246 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -79.3 136.34 37.0 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.664 0.786 . . . . 71.23 109.778 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -148.71 17.0 1.0 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.183 0.993 . . . . 71.32 108.368 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 CA--C 1.554 1.115 0 C-N-CA 124.783 1.233 . . . . 74.32 110.161 -174.938 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.101 -0.333 . . . . 74.42 110.101 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -149.51 174.84 12.06 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.751 0.82 . . . . 42.34 109.386 175.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 314' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' X' ' 314' ' ' LYS . 0.2 OUTLIER -141.85 18.79 2.15 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.388 0.675 . . . . 73.52 111.005 176.652 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -58.78 -33.29 70.15 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.563 0.745 . . . . 72.11 111.892 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 316' ' ' LYS . . . . . 0.748 ' HA ' HG11 ' X' ' 340' ' ' VAL . 0.0 OUTLIER -85.7 91.47 8.31 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.339 0.59 . . . . 43.02 109.599 176.858 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 317' ' ' THR . . . . . 0.528 HG23 ' HG3' ' X' ' 318' ' ' LYS . 10.2 t -117.12 -37.91 3.47 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.474 -0.785 . . . . 53.43 110.452 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 318' ' ' LYS . . . . . 0.528 ' HG3' HG23 ' X' ' 317' ' ' THR . 0.0 OUTLIER -163.18 149.33 12.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.98 0.512 . . . . 74.12 111.436 178.667 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -72.73 155.25 40.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.879 -0.6 . . . . 64.21 110.556 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 85.3 m -60.74 145.43 49.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.234 0.613 . . . . 74.44 112.107 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -65.16 -26.33 68.12 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.769 -0.651 . . . . 61.45 110.498 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.16 -43.87 97.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.15 0.98 . . . . 62.33 109.993 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 323' ' ' PHE . . . . . 0.527 ' HE1' ' SG ' ' X' ' 331' ' ' CYS . 10.2 m-85 -90.82 6.38 44.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.409 1.084 . . . . 64.41 111.735 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.95 158.95 33.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.277 0.631 . . . . 61.52 110.711 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -69.67 112.91 6.46 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.052 0.541 . . . . 72.25 110.578 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.32 -0.24 43.7 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.613 -0.595 . . . . 31.14 111.613 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -84.03 -179.01 51.78 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.27 0.462 . . . . 73.31 112.453 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.6 p -80.33 -35.23 35.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.678 0.791 . . . . 74.45 110.565 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 92.95 0.41 68.52 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 114.588 -1.187 . . . . 42.43 112.742 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -110.89 119.11 38.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.745 0.818 . . . . 71.43 110.605 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 331' ' ' CYS . . . . . 0.527 ' SG ' ' HE1' ' X' ' 323' ' ' PHE . 65.3 m -82.08 137.93 46.13 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.431 0.692 . . . . 52.24 109.971 168.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.57 -27.81 53.44 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.1 2.533 . . . . 65.51 112.299 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -83.77 -17.67 40.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.557 0.743 . . . . 63.51 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.76 -131.51 12.06 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.087 -0.506 . . . . 74.52 112.647 -175.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.9 tp -72.94 -24.64 60.83 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.494 0.718 . . . . 75.42 110.256 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -72.06 -5.15 33.15 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.203 0.601 . . . . 71.53 112.059 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 337' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 10.7 t -60.41 119.4 7.91 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.534 0.334 . . . . 74.14 110.972 173.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.46 69.81 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.284 -0.871 . . . . 62.13 111.201 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.427 ' HD1' ' HE3' ' X' ' 318' ' ' LYS . 60.1 m-85 -69.05 115.14 8.0 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.626 -1.25 . . . . 62.15 107.626 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.748 HG11 ' HA ' ' X' ' 316' ' ' LYS . 11.3 p -66.53 138.9 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-O 121.512 0.673 . . . . 64.22 110.746 -172.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.507 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.5 m80 -90.35 150.58 43.22 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 114.573 -1.194 . . . . 64.31 109.424 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -68.5 -4.22 12.58 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.567 2.178 . . . . 53.25 112.856 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 20.7 p -82.14 -3.42 54.82 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.239 1.015 . . . . 63.11 112.068 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.58 133.72 55.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.575 0.75 . . . . 71.23 111.826 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -123.86 18.45 9.38 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.195 1.398 . . . . 71.32 110.396 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.553 1.083 0 CA-C-O 118.948 -0.548 . . . . 74.32 110.396 -176.435 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.583 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.6 OUTLIER . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 108.231 -1.026 . . . . 74.42 108.231 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -75.48 81.7 2.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.784 0.833 . . . . 42.34 109.798 -176.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -143.04 139.32 30.49 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.685 0.794 . . . . 73.52 110.759 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -116.83 -15.1 10.71 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.073 1.349 . . . . 72.11 110.023 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -55.84 -61.49 2.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.805 1.242 . . . . 43.02 112.614 -170.766 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 317' ' ' THR . . . . . 0.42 ' HA ' HG21 ' X' ' 340' ' ' VAL . 40.7 p -67.56 92.95 0.33 Allowed 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.793 0.806 . . . . 53.43 111.779 -174.866 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 318' ' ' LYS . . . . . 0.54 ' H ' ' HB ' ' X' ' 340' ' ' VAL . 23.1 tptm -150.23 114.13 5.06 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.374 1.07 . . . . 74.12 108.144 177.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.6 121.11 10.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.783 1.233 . . . . 64.21 110.21 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.479 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.7 m -59.48 128.07 35.22 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.084 0.865 . . . . 74.44 111.347 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -26.6 41.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.879 0.871 . . . . 61.45 111.396 174.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 322' ' ' ASN . . . . . 0.573 ' ND2' ' HD3' ' X' ' 332' ' ' PRO . 9.6 m120 -63.68 -46.11 87.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.74 1.216 . . . . 62.33 110.389 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -87.06 -9.96 54.16 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.256 -0.884 . . . . 64.41 111.628 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.95 146.47 46.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.187 0.595 . . . . 61.52 109.921 170.501 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -63.08 120.74 12.02 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.888 0.475 . . . . 72.25 110.715 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.18 -9.8 29.05 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-N 115.914 -0.585 . . . . 31.14 112.077 -169.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.75 173.08 39.66 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.511 0.577 . . . . 73.31 112.417 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 41.0 p -70.97 -18.4 62.62 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.066 0.946 . . . . 74.45 112.14 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.77 -11.98 50.32 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.679 1.133 . . . . 42.43 112.759 -174.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -116.03 125.74 52.87 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.506 1.122 . . . . 71.43 109.628 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.85 126.05 92.29 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 108.313 -0.995 . . . . 52.24 108.313 162.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 332' ' ' PRO . . . . . 0.573 ' HD3' ' ND2' ' X' ' 322' ' ' ASN . 31.3 Cg_exo -60.87 -23.77 77.66 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 122.862 2.375 . . . . 65.51 112.096 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -84.42 -22.13 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.602 -1.181 . . . . 63.51 110.905 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.85 -107.87 1.97 Allowed Glycine 0 C--N 1.352 1.447 0 O-C-N 123.404 0.44 . . . . 74.52 113.813 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.56 -34.73 67.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.236 0.614 . . . . 75.42 109.742 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -77.78 9.62 3.36 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.498 1.119 . . . . 71.53 112.238 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 49.7 t -64.92 142.63 58.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.628 0.771 . . . . 74.14 110.861 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.18 -29.52 11.67 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.774 0.83 . . . . 62.13 110.632 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.06 142.77 32.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.498 0.719 . . . . 62.15 110.45 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.605 HG13 ' HA ' ' X' ' 345' ' ' LYS . 2.6 t -72.84 138.3 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.925 0.89 . . . . 64.22 111.409 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.692 ' HB2' ' HB3' ' X' ' 344' ' ' ASP . 19.8 m170 -90.02 146.38 34.97 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 108.587 -0.894 . . . . 64.31 108.587 174.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -60.98 -20.82 69.12 Favored 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 123.051 2.5 . . . . 53.25 112.978 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 14.5 t -113.56 1.86 15.13 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.53 0.732 . . . . 63.11 111.684 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 344' ' ' ASP . . . . . 0.692 ' HB3' ' HB2' ' X' ' 341' ' ' HIS . 23.7 t70 -147.69 87.5 1.64 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 107.914 -1.143 . . . . 71.23 107.914 -174.614 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 345' ' ' LYS . . . . . 0.605 ' HA ' HG13 ' X' ' 340' ' ' VAL . 49.4 mtpt -80.92 -82.38 0.12 Allowed 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.272 -0.876 . . . . 71.32 110.393 -173.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--O 1.247 0.97 0 N-CA-C 108.894 -0.78 . . . . 74.32 108.894 -178.485 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.37 -0.604 . . . . 74.42 109.37 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -82.25 -20.36 37.76 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.064 0.546 . . . . 42.34 110.367 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt 64.26 93.84 0.06 Allowed 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.994 1.317 . . . . 73.52 110.189 -175.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -147.11 -63.3 0.28 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.446 0.698 . . . . 72.11 110.894 -170.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -103.43 13.26 33.97 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.422 0.689 . . . . 43.02 110.142 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 22.2 p -84.56 69.39 10.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.303 1.041 . . . . 53.43 111.481 -170.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -98.83 104.69 16.76 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.712 -1.218 . . . . 74.12 107.712 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 45.2 tp -59.88 129.66 42.95 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 122.79 0.436 . . . . 64.21 110.775 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 73.6 m -64.74 121.83 15.46 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.287 0.635 . . . . 74.44 111.286 177.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -63.0 -26.54 68.9 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.454 1.102 . . . . 61.45 110.392 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -58.66 -45.79 88.6 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.72 0.808 . . . . 62.33 109.61 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -90.03 6.84 40.58 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.862 -1.063 . . . . 64.41 112.268 -175.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -91.05 157.17 17.41 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.399 0.68 . . . . 61.52 109.515 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 124.83 21.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.678 0.791 . . . . 72.25 110.27 -176.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.03 40.32 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 115.968 -0.56 . . . . 31.14 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -81.03 175.44 54.79 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 123.673 0.278 . . . . 73.31 112.761 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 328' ' ' THR . . . . . 0.458 HG23 ' H ' ' X' ' 330' ' ' PHE . 3.9 t -69.38 -26.87 64.87 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.924 0.89 . . . . 74.45 112.084 178.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.61 78.81 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.291 0.472 . . . . 42.43 113.108 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 330' ' ' PHE . . . . . 0.458 ' H ' HG23 ' X' ' 328' ' ' THR . 47.1 m-85 -115.48 123.81 49.51 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.99 0.916 . . . . 71.43 110.431 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 73.6 m -80.48 121.35 81.35 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 109.475 -0.565 . . . . 52.24 109.475 170.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -64.78 -20.57 64.91 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.813 2.342 . . . . 65.51 112.944 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -75.94 -24.54 55.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.997 0.919 . . . . 63.51 111.693 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 64.63 -110.37 3.43 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.572 0.545 . . . . 74.52 112.799 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.3 tp -67.02 -33.17 74.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.833 0.853 . . . . 75.42 110.847 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -83.57 6.54 20.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.58 0.752 . . . . 71.53 112.281 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.9 116.92 9.11 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 120.732 0.301 . . . . 74.14 110.711 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.85 -28.25 40.08 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 62.13 110.222 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.44 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 65.1 m-85 -76.61 128.08 34.02 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 115.005 -0.998 . . . . 62.15 108.894 176.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.43 142.25 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 C-N-CA 123.197 0.599 . . . . 64.22 110.603 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.545 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 17.3 m80 -91.23 144.81 30.4 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 123.965 0.906 . . . . 64.31 108.871 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.47 -13.08 20.56 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 122.389 2.059 . . . . 53.25 111.495 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 32.4 p -91.04 -29.86 17.11 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.832 1.253 . . . . 63.11 110.185 176.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -91.65 -178.89 5.2 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.685 0.794 . . . . 71.23 110.32 174.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -141.31 156.69 45.82 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.896 0.479 . . . . 71.32 109.756 -175.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 . . . . . 0 C--O 1.246 0.869 0 C-N-CA 123.737 0.815 . . . . 74.32 109.097 -179.783 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.504 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 121.054 0.454 . . . . 74.42 109.805 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -107.62 110.64 22.57 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.113 -0.494 . . . . 42.34 110.114 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -113.89 16.73 18.3 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 108.445 -0.946 . . . . 73.52 108.445 170.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -79.1 -54.74 5.7 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.136 0.975 . . . . 72.11 110.833 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 316' ' ' LYS . . . . . 0.572 ' HB3' HG21 ' X' ' 340' ' ' VAL . 68.2 mttm -86.46 82.69 7.86 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.372 0.669 . . . . 43.02 109.227 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 15.5 p -134.83 12.4 3.67 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.721 0.809 . . . . 53.43 111.356 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -70.69 83.78 0.63 Allowed 'General case' 0 C--N 1.358 0.953 0 N-CA-C 108.032 -1.099 . . . . 74.12 108.032 169.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 319' ' ' LEU . . . . . 0.475 ' HB2' ' HD3' ' X' ' 342' ' ' PRO . 2.6 pt? -67.93 148.74 50.68 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.894 -1.048 . . . . 64.21 111.113 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 70.0 m -72.49 126.53 30.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.423 -0.808 . . . . 74.44 109.961 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -66.19 -21.04 66.3 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.751 0.657 . . . . 61.45 110.373 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -58.1 -47.27 83.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.574 1.15 . . . . 62.33 109.521 171.072 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.9 -22.18 27.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.178 0.991 . . . . 64.41 111.504 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.27 53.63 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 122.624 0.37 . . . . 61.52 110.228 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -55.17 127.76 30.73 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.085 0.954 . . . . 72.25 112.256 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 105.42 -20.51 37.18 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 112.07 -0.412 . . . . 31.14 112.07 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.23 -179.49 52.64 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 112.38 -0.288 . . . . 73.31 112.38 172.7 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 45.7 p -74.26 -29.91 61.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.51 0.724 . . . . 74.45 111.068 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -6.6 63.28 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 115.012 -0.994 . . . . 42.43 112.091 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.46 131.27 56.98 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.042 0.937 . . . . 71.43 111.75 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 90.6 m -89.16 136.62 30.07 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 123.429 0.692 . . . . 52.24 109.151 165.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.01 -32.06 84.68 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.943 2.429 . . . . 65.51 113.702 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -87.11 -8.92 56.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.444 0.697 . . . . 63.51 111.375 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 70.02 -125.72 16.03 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-O 119.36 -0.689 . . . . 74.52 111.632 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.1 tp -78.57 -15.62 58.35 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.591 0.695 . . . . 75.42 110.862 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -71.82 -4.63 29.04 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.105 0.562 . . . . 71.53 111.914 174.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.91 140.78 23.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.593 1.157 . . . . 74.14 112.773 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.09 -37.27 72.42 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.396 0.678 . . . . 62.13 111.027 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -87.73 145.16 26.26 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.305 -0.861 . . . . 62.15 110.127 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 340' ' ' VAL . . . . . 0.572 HG21 ' HB3' ' X' ' 316' ' ' LYS . 53.2 t -79.08 143.1 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.735 0.814 . . . . 64.22 110.135 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.571 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.4 m170 -90.58 123.13 66.08 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.356 -0.979 . . . . 64.31 108.356 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 342' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' X' ' 319' ' ' LEU . 15.9 Cg_endo -56.92 -23.02 49.03 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 123.024 2.483 . . . . 53.25 112.622 177.282 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 31.5 p -75.85 -32.14 59.62 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.245 1.018 . . . . 63.11 111.94 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -108.5 106.06 15.98 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.555 0.742 . . . . 71.23 109.721 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -128.83 152.18 48.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.898 0.879 . . . . 71.32 109.847 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 CA--C 1.559 1.308 0 C-N-CA 123.461 0.704 . . . . 74.32 109.879 170.843 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 312' ' ' ASN . . . . . 0.53 ' N ' HD21 ' X' ' 312' ' ' ASN . 0.7 OUTLIER . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.673 -0.491 . . . . 74.42 109.673 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -113.96 122.9 48.36 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.436 1.094 . . . . 42.34 108.883 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.17 27.08 6.75 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.188 0.595 . . . . 73.52 110.273 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -68.8 -35.95 77.66 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.382 0.673 . . . . 72.11 110.874 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -65.99 -45.22 82.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.27 1.028 . . . . 43.02 110.558 176.269 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 61.7 p -78.51 113.93 16.97 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.614 -0.721 . . . . 53.43 111.011 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -74.03 82.41 1.74 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.863 -1.532 . . . . 74.12 106.863 171.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 9.2 tt -70.81 126.85 30.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.454 0.702 . . . . 64.21 111.373 -164.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 320' ' ' CYS . . . . . 0.558 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 73.0 m -78.57 119.83 22.4 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 123.175 0.59 . . . . 74.44 110.213 174.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -60.56 -24.8 65.7 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.585 0.754 . . . . 61.45 110.626 171.752 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -58.12 -46.82 84.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.475 1.11 . . . . 62.33 110.32 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -88.13 -17.57 30.69 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.35 0.66 . . . . 64.41 112.27 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.57 143.66 57.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.449 -0.574 . . . . 61.52 109.449 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -60.73 131.56 51.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.826 0.85 . . . . 72.25 111.225 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.73 -6.05 60.35 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 111.104 -0.798 . . . . 31.14 111.104 -165.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.55 171.16 36.1 Favored Glycine 0 C--N 1.351 1.378 0 C-N-CA 123.747 0.689 . . . . 73.31 113.156 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 328' ' ' THR . . . . . 0.532 HG23 ' H ' ' X' ' 330' ' ' PHE . 8.6 t -81.62 -18.23 45.41 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.73 0.812 . . . . 74.45 111.299 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.74 74.34 Favored Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.412 0.529 . . . . 42.43 113.437 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 330' ' ' PHE . . . . . 0.532 ' H ' HG23 ' X' ' 328' ' ' THR . 83.0 m-85 -111.35 114.71 28.07 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.552 1.141 . . . . 71.43 109.828 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 67.9 m -81.83 137.55 47.1 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 109.003 -0.74 . . . . 52.24 109.003 166.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.47 -20.99 53.9 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.456 2.104 . . . . 65.51 113.034 -172.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 333' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 70.9 m-85 -94.79 -18.04 21.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.032 0.933 . . . . 63.51 111.516 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 67.28 -107.23 1.94 Allowed Glycine 0 C--N 1.349 1.292 0 C-N-CA 123.018 0.342 . . . . 74.52 113.587 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.7 tp -75.02 -34.31 61.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.617 0.767 . . . . 75.42 110.531 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -86.96 20.12 2.77 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.883 -0.599 . . . . 71.53 111.953 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 337' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 49.2 t -67.47 117.26 9.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.941 0.496 . . . . 74.14 110.234 178.433 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.45 -15.14 62.32 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 62.13 112.055 -178.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 339' ' ' PHE . . . . . 0.462 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 95.4 m-85 -94.68 117.2 29.75 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 108.063 -1.088 . . . . 62.15 108.063 171.128 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.39 133.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 64.22 109.79 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 341' ' ' HIS . . . . . 0.558 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 18.5 m80 -76.88 137.59 66.06 Favored Pre-proline 0 N--CA 1.471 0.58 0 CA-C-N 115.718 -0.673 . . . . 64.31 109.441 -173.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.72 -41.32 78.73 Favored 'Trans proline' 0 C--N 1.369 1.631 0 C-N-CA 122.162 1.908 . . . . 53.25 111.632 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 6.3 m -111.22 76.33 0.97 Allowed 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 108.051 -1.092 . . . . 63.11 108.051 170.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -95.79 117.28 30.25 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.981 0.912 . . . . 71.23 109.837 -177.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? 56.22 21.67 5.48 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.41 1.084 . . . . 71.32 112.422 175.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.549 0.922 0 C-N-CA 124.716 1.206 . . . . 74.32 108.972 -174.865 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp . . . . . 0 N--CA 1.464 0.232 0 N-CA-C 108.79 -0.819 . . . . 74.12 108.79 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . 0.566 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 7.8 tt -62.21 120.06 10.21 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.589 -0.893 . . . . 64.21 108.589 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.537 ' SG ' ' CD2' ' X' ' 341' ' ' HIS . 38.1 m -56.58 141.76 41.95 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.552 1.158 . . . . 74.44 112.419 -173.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -60.98 -23.18 65.16 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.844 -0.617 . . . . 61.45 110.295 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.91 -49.42 68.06 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.869 0.868 . . . . 62.33 109.416 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.402 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 39.4 m-85 -87.84 1.99 52.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.035 0.934 . . . . 64.41 111.854 -176.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.02 133.36 44.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.954 -0.758 . . . . 61.52 108.954 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.11 117.76 7.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.415 0.686 . . . . 72.25 111.283 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.92 -8.49 27.51 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.046 -0.525 . . . . 31.14 112.251 -170.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -91.28 -153.41 29.48 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 123.634 0.635 . . . . 73.31 111.924 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 44.8 p -82.93 -47.84 11.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.396 0.678 . . . . 74.45 110.759 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.98 64.06 Favored Glycine 0 N--CA 1.469 0.839 0 CA-C-N 115.086 -0.961 . . . . 42.43 111.889 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -116.14 124.12 49.55 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.28 1.032 . . . . 71.43 110.093 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.402 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 94.9 m -82.77 126.06 74.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.968 -0.753 . . . . 52.24 108.968 166.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.3 -28.96 85.23 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.674 2.249 . . . . 65.51 112.553 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.88 -18.48 56.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.985 0.914 . . . . 63.51 111.713 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 68.0 -124.48 20.27 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.448 0.467 . . . . 74.52 113.395 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.2 -32.7 73.94 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.904 0.882 . . . . 75.42 110.622 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -72.73 -5.1 35.48 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.037 0.935 . . . . 71.53 112.277 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.74 122.58 14.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.913 0.885 . . . . 74.14 111.366 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.52 -32.33 73.87 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.127 0.892 . . . . 62.13 111.252 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.466 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 92.8 m-85 -75.47 125.42 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.666 -0.697 . . . . 62.15 109.211 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 57.2 t -76.51 129.55 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.225 1.01 . . . . 64.22 110.224 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.537 ' CD2' ' SG ' ' X' ' 320' ' ' CYS . 16.2 m80 -86.41 148.78 47.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 109.378 -0.601 . . . . 64.31 109.378 -177.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . 0.566 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 36.6 Cg_endo . . . . . 0 C--N 1.368 1.563 0 C-N-CA 122.124 1.883 . . . . 53.25 112.071 173.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 57.0 mttp . . . . . 0 C--O 1.243 0.711 0 CA-C-O 120.943 0.401 . . . . 74.12 110.704 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . 0.405 HD11 ' HD3' ' X' ' 342' ' ' PRO . 56.0 tp -64.44 144.29 57.29 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.897 -1.047 . . . . 64.21 109.938 172.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' X' ' 341' ' ' HIS . 74.3 m -58.98 132.03 52.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.012 0.525 . . . . 74.44 110.216 174.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -56.75 -25.7 55.62 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.898 . . . . 61.45 111.469 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -64.83 -44.67 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.661 1.184 . . . . 62.33 110.35 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.59 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 39.0 m-85 -88.74 -17.05 30.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.812 0.845 . . . . 64.41 111.438 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.68 154.68 28.58 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.287 0.635 . . . . 61.52 110.467 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -62.07 126.2 26.5 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.6 0.76 . . . . 72.25 111.164 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.43 -12.86 56.94 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.79 -0.641 . . . . 31.14 112.125 -170.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.16 171.8 34.36 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.541 0.591 . . . . 73.31 112.395 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . 0.476 HG23 ' H ' ' X' ' 330' ' ' PHE . 13.1 t -85.79 -3.25 58.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.79 0.836 . . . . 74.45 112.432 -172.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 74.33 -0.64 53.6 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 123.598 0.618 . . . . 42.43 114.276 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . 0.476 ' H ' HG23 ' X' ' 328' ' ' THR . 79.7 t80 -115.64 118.38 32.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.237 1.015 . . . . 71.43 110.611 -175.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.59 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 87.9 m -83.19 130.49 56.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.405 -0.961 . . . . 52.24 108.405 164.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -58.62 -30.6 92.6 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 123.363 2.709 . . . . 65.51 112.85 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.84 -16.39 41.5 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.6 0.76 . . . . 63.51 111.646 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.44 -122.45 26.83 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 119.73 -0.483 . . . . 74.52 112.902 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.59 -30.49 71.51 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.043 0.937 . . . . 75.42 111.282 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.43 2.97 34.01 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.321 -0.854 . . . . 71.53 111.731 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.79 132.24 51.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.623 0.769 . . . . 74.14 110.794 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.29 -12.36 59.09 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.9 0.88 . . . . 62.13 111.649 -172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.407 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 88.2 m-85 -104.74 160.47 14.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.43 0.692 . . . . 62.15 110.328 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 18.9 t -82.36 132.11 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 114.926 -1.033 . . . . 64.22 111.356 -167.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.443 ' CD2' ' SG ' ' X' ' 320' ' ' CYS . 22.0 m170 -92.52 154.63 42.57 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 124.318 1.047 . . . . 64.31 109.13 174.436 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . 0.405 ' HD3' HD11 ' X' ' 319' ' ' LEU . 80.3 Cg_endo . . . . . 0 C--N 1.379 2.161 0 C-N-CA 122.233 1.956 . . . . 53.25 111.241 -177.083 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm . . . . . 0 C--O 1.244 0.796 0 N-CA-C 107.986 -1.116 . . . . 74.12 107.986 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.53 136.29 58.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.426 1.079 . . . . 64.21 110.667 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.569 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 60.4 m -67.25 135.4 53.33 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.458 0.703 . . . . 74.44 109.661 171.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -64.37 -20.08 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.994 0.426 . . . . 61.45 110.393 171.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -64.28 -47.19 80.47 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 115.257 -0.883 . . . . 62.33 109.438 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.592 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 22.5 m-85 -87.54 1.53 53.3 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.341 -0.845 . . . . 64.41 111.337 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -86.68 159.49 19.17 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.666 0.786 . . . . 61.52 109.926 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . 0.4 ' N ' ' HD2' ' X' ' 325' ' ' ARG . 6.9 mpt_? -71.41 121.95 19.5 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.321 0.648 . . . . 72.25 110.048 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 112.04 -20.62 21.52 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 115.686 -0.688 . . . . 31.14 111.691 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.88 166.05 32.34 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 111.23 -0.748 . . . . 73.31 111.23 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 82.1 p -72.73 -28.03 62.41 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.662 0.785 . . . . 74.45 111.85 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 99.93 -6.35 58.44 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 115.536 -0.756 . . . . 42.43 112.468 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -114.75 116.78 29.2 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.644 0.778 . . . . 71.43 110.227 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.592 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 72.1 m -76.25 135.36 69.66 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-O 118.679 -0.677 . . . . 52.24 109.639 171.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.89 -28.65 78.42 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.825 2.35 . . . . 65.51 113.456 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -80.84 -29.19 35.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.8 0.84 . . . . 63.51 111.503 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.2 -123.18 7.73 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.416 -0.658 . . . . 74.52 112.051 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.03 -34.56 73.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.696 0.798 . . . . 75.42 110.353 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.48 2.89 8.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.206 1.003 . . . . 71.53 112.725 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.13 129.77 40.96 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 74.14 111.277 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.67 -37.96 65.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.221 1.008 . . . . 62.13 111.258 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -70.96 123.19 21.46 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.536 -0.913 . . . . 62.15 108.536 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.19 135.57 26.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 123.623 0.577 . . . . 64.22 110.386 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.569 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 29.2 m170 -82.13 152.85 68.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 114.861 -1.063 . . . . 64.31 110.138 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo . . . . . 0 C--N 1.372 1.802 0 C-N-CA 122.593 2.195 . . . . 53.25 111.995 -178.074 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 59.8 mttm . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 108.236 -1.024 . . . . 74.12 108.236 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 127.47 32.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 117.87 0.305 . . . . 64.21 110.516 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.563 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 80.7 m -69.38 125.92 28.16 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.602 0.564 . . . . 74.44 110.333 170.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -59.59 -27.41 66.26 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.113 0.965 . . . . 61.45 110.209 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.921 1.288 . . . . 62.33 110.624 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -91.82 -12.14 34.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.2 1.0 . . . . 64.41 111.405 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.69 158.92 29.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.359 0.664 . . . . 61.52 109.631 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -54.97 136.5 47.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.247 1.019 . . . . 72.25 112.132 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 94.71 -9.93 70.83 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.775 -0.648 . . . . 31.14 112.768 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -94.29 -167.72 37.11 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-N 116.945 0.372 . . . . 73.31 112.472 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 74.9 p -116.95 -21.81 8.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.657 0.783 . . . . 74.45 110.595 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 95.63 20.94 25.41 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.293 0.371 . . . . 42.43 112.348 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -114.79 109.83 18.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.565 0.746 . . . . 71.43 110.57 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 97.1 m -83.22 122.67 77.51 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 108.677 -0.86 . . . . 52.24 108.677 165.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.28 -12.45 31.94 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.487 2.124 . . . . 65.51 112.825 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -85.69 -34.05 21.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.73 0.812 . . . . 63.51 110.533 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 59.94 -100.66 0.21 Allowed Glycine 0 C--N 1.352 1.444 0 O-C-N 123.905 0.753 . . . . 74.52 113.304 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.39 -35.54 75.89 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.644 0.778 . . . . 75.42 110.531 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -84.29 12.04 7.34 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.659 -0.701 . . . . 71.53 112.146 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 48.0 t -75.06 119.03 18.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.634 0.774 . . . . 74.14 109.792 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.29 -38.04 89.0 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.486 0.66 . . . . 62.13 110.323 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -80.65 122.17 26.77 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.209 -1.36 . . . . 62.15 110.185 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 6.4 p -74.0 145.1 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 114.757 -1.11 . . . . 64.22 110.01 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.563 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 23.6 m170 -86.7 136.76 34.33 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 115.778 -0.646 . . . . 64.31 109.673 -174.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.7 Cg_endo . . . . . 0 C--N 1.388 2.64 0 C-N-CA 124.244 3.296 . . . . 53.25 114.04 -170.215 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 98.1 mttt . . . . . 0 N--CA 1.464 0.23 0 N-CA-C 108.324 -0.991 . . . . 74.12 108.324 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . 0.417 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 8.4 tt -62.53 127.42 31.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.331 -1.359 . . . . 64.21 107.331 174.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.647 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 82.6 m -57.89 122.21 12.38 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.718 0.636 . . . . 74.44 111.281 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.98 -22.57 60.67 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.234 0.959 . . . . 61.45 111.261 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.74 -46.71 65.26 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.066 -0.97 . . . . 62.33 109.315 173.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.542 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 15.9 m-85 -86.14 2.44 46.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.468 1.107 . . . . 64.41 111.62 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.92 144.69 56.5 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 122.931 0.492 . . . . 61.52 110.259 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -68.35 109.48 3.66 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.611 0.764 . . . . 72.25 108.963 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.44 11.2 24.01 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.152 -0.931 . . . . 31.14 111.611 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -112.42 -158.13 13.76 Favored Glycine 0 C--N 1.345 1.079 0 C-N-CA 123.384 0.516 . . . . 73.31 112.512 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 48.7 p -80.84 -46.47 15.27 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.751 0.786 . . . . 74.45 111.177 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.32 61.95 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 114.61 -1.177 . . . . 42.43 112.177 -177.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -115.96 126.2 53.55 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.277 1.031 . . . . 71.43 109.892 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.404 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 87.9 m -80.83 142.86 52.99 Favored Pre-proline 0 N--CA 1.477 0.923 0 N-CA-C 109.352 -0.61 . . . . 52.24 109.352 167.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -67.39 -12.61 36.43 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.679 2.253 . . . . 65.51 112.629 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.18 -23.37 22.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.863 0.865 . . . . 63.51 110.206 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.88 -132.09 12.6 Favored Glycine 0 C--N 1.353 1.481 0 CA-C-N 115.851 -0.613 . . . . 74.52 111.978 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 36.1 tp -74.83 -14.29 60.67 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.635 0.774 . . . . 75.42 110.145 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -87.11 17.07 4.46 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.182 0.993 . . . . 71.53 111.461 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.7 t -71.95 143.68 49.18 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.429 0.691 . . . . 74.14 112.095 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.47 -31.81 58.0 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.905 0.882 . . . . 62.13 111.367 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.641 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 70.9 m-85 -91.98 154.45 18.79 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.089 -0.959 . . . . 62.15 111.415 -169.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.44 125.4 27.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 124.738 1.215 . . . . 64.22 111.407 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.647 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 61.5 m170 -88.02 126.6 60.54 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.486 0.714 . . . . 64.31 109.874 174.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . 0.417 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 54.5 Cg_endo . . . . . 0 C--N 1.382 2.322 0 C-N-CA 122.743 2.295 . . . . 53.25 110.84 174.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . 0.52 ' HB2' ' HA ' ' X' ' 339' ' ' PHE . 45.1 mtmt . . . . . 0 CA--C 1.534 0.364 0 N-CA-C 109.293 -0.632 . . . . 74.12 109.293 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.94 117.44 3.44 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.099 0.874 . . . . 64.21 108.95 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 89.0 m -63.98 127.49 31.64 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.787 -0.642 . . . . 74.44 111.441 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -61.9 -24.69 67.1 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.272 0.983 . . . . 61.45 110.59 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.42 -46.54 82.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.998 0.919 . . . . 62.33 109.769 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.603 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 31.7 m-85 -89.4 0.22 57.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.92 0.888 . . . . 64.41 111.71 -176.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.87 157.61 37.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.846 0.458 . . . . 61.52 110.084 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -68.02 120.29 14.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.63 0.772 . . . . 72.25 110.556 -177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.08 -15.16 56.82 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 111.866 -0.494 . . . . 31.14 111.866 -171.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -85.06 174.53 49.5 Favored Glycine 0 C--N 1.346 1.093 0 C-N-CA 123.386 0.517 . . . . 73.31 112.16 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.2 p -70.58 -51.13 30.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.397 0.679 . . . . 74.45 111.715 -175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 101.14 4.25 53.9 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-N 115.346 -0.843 . . . . 42.43 111.67 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -113.69 121.22 43.45 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.974 0.909 . . . . 71.43 109.606 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.603 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 87.2 m -85.22 142.89 38.61 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 122.971 0.509 . . . . 52.24 110.318 171.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.33 -23.91 58.4 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 123.093 2.528 . . . . 65.51 112.952 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -91.04 -20.41 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.465 0.706 . . . . 63.51 110.761 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 66.95 -109.02 2.68 Favored Glycine 0 C--N 1.354 1.554 0 O-C-N 123.538 0.524 . . . . 74.52 112.869 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.7 tp -75.6 -32.77 60.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.498 0.719 . . . . 75.42 110.281 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -76.46 7.96 3.94 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.255 0.622 . . . . 71.53 112.188 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 45.5 t -66.53 119.37 11.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.642 0.777 . . . . 74.14 111.648 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.25 -26.46 67.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.222 1.009 . . . . 62.13 110.918 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.52 ' HA ' ' HB2' ' X' ' 318' ' ' LYS . 55.2 m-85 -81.58 122.01 27.04 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.231 1.013 . . . . 62.15 108.624 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.93 132.21 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.905 0.882 . . . . 64.22 111.067 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.53 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 10.4 m80 -88.04 118.77 70.02 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.892 -1.151 . . . . 64.31 107.892 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo . . . . . 0 C--N 1.38 2.223 0 C-N-CA 123.187 2.591 . . . . 53.25 114.056 -171.555 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.2 mttp . . . . . 0 C--O 1.237 0.402 0 N-CA-C 108.033 -1.099 . . . . 74.12 108.033 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.17 135.96 52.95 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.602 -0.888 . . . . 64.21 108.602 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.563 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.3 m -63.59 128.91 37.96 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.831 0.707 . . . . 74.44 111.08 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -59.14 -23.92 62.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.154 1.382 . . . . 61.45 111.342 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.53 -46.88 71.51 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.244 -0.889 . . . . 62.33 109.397 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.44 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 6.0 m-85 -75.13 -25.13 58.18 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.771 0.828 . . . . 64.41 111.103 -177.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.41 127.58 33.39 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.654 -0.869 . . . . 61.52 108.654 171.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.11 138.42 58.39 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.737 0.648 . . . . 72.25 110.346 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.0 -22.19 23.71 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 109.904 -1.278 . . . . 31.14 109.904 -162.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.28 -147.35 11.92 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 110.895 -0.882 . . . . 73.31 110.895 165.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 34.9 p -107.4 -21.01 13.08 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.899 0.88 . . . . 74.45 111.632 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 90.73 -12.69 67.93 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.669 1.128 . . . . 42.43 112.728 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -118.05 132.84 56.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.663 1.185 . . . . 71.43 110.021 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.44 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 77.3 m -81.92 121.72 79.41 Favored Pre-proline 0 N--CA 1.475 0.78 0 CA-C-O 118.22 -0.895 . . . . 52.24 109.245 168.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.22 -33.03 89.69 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.956 3.104 . . . . 65.51 113.629 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -78.05 -18.33 55.94 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.169 0.988 . . . . 63.51 111.121 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.17 -129.37 9.06 Favored Glycine 0 C--N 1.35 1.319 0 N-CA-C 110.856 -0.897 . . . . 74.52 110.856 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.02 -21.4 64.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.075 0.95 . . . . 75.42 111.42 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -69.83 -12.18 61.43 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.14 0.976 . . . . 71.53 112.532 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.82 127.36 28.12 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.341 1.056 . . . . 74.14 112.368 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.18 -33.58 71.12 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.85 1.26 . . . . 62.13 111.813 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -80.36 131.19 35.59 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.527 -0.916 . . . . 62.15 108.527 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.07 142.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 O-C-N 123.678 0.611 . . . . 64.22 110.106 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.563 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 24.9 m80 -90.93 142.52 27.57 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.62 0.768 . . . . 64.31 109.992 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo . . . . . 0 C--N 1.379 2.184 0 C-N-CA 122.322 2.014 . . . . 53.25 111.476 -179.319 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 106.585 -1.635 . . . . 74.12 106.585 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.96 134.04 46.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.736 0.414 . . . . 64.21 110.602 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.557 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 60.1 m -69.12 128.54 37.0 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.22 -0.9 . . . . 74.44 110.635 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -25.35 68.17 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.244 0.545 . . . . 61.45 109.547 168.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.9 -45.26 86.66 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 114.672 -1.149 . . . . 62.33 110.906 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.59 9.5 18.32 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.967 0.728 . . . . 64.41 112.967 -172.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.42 121.43 15.75 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.721 -0.844 . . . . 61.52 108.721 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.76 125.28 23.83 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.539 0.736 . . . . 72.25 110.772 -177.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.91 -19.55 30.21 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.356 -0.838 . . . . 31.14 111.654 -168.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.49 -158.83 34.99 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 123.473 0.558 . . . . 73.31 112.575 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 9.7 t -66.88 -36.23 81.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.509 0.724 . . . . 74.45 111.374 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 78.09 -9.48 32.29 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.544 -0.753 . . . . 42.43 114.791 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -117.11 137.08 52.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.652 0.781 . . . . 71.43 110.199 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 84.6 m -90.9 147.19 35.37 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.919 -0.562 . . . . 52.24 110.477 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.85 -26.27 67.45 Favored 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.621 2.214 . . . . 65.51 112.749 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -94.5 -23.54 17.66 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.605 0.762 . . . . 63.51 110.601 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 62.74 -103.62 0.66 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 123.764 0.665 . . . . 74.52 112.962 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.64 -32.31 73.91 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.163 0.985 . . . . 75.42 110.642 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -92.14 17.55 9.38 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.063 -0.972 . . . . 71.53 111.919 -173.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 50.4 t -80.35 121.3 25.52 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.596 0.759 . . . . 74.14 110.934 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -23.72 60.43 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.3 0.64 . . . . 62.13 110.849 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.499 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 98.5 m-85 -71.27 112.6 7.54 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.701 -1.222 . . . . 62.15 107.701 165.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 6.0 p -75.71 144.81 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.131 0.491 . . . . 64.22 110.199 -174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.557 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 21.7 m170 -90.08 139.47 27.28 Favored Pre-proline 0 N--CA 1.471 0.576 0 C-N-CA 123.689 0.796 . . . . 64.31 110.035 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo . . . . . 0 C--N 1.372 1.803 0 C-N-CA 122.321 2.014 . . . . 53.25 112.422 -173.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . 0.528 ' HG3' ' HA ' ' X' ' 339' ' ' PHE . 8.4 ptpp? . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 108.909 -0.775 . . . . 74.12 108.909 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.94 124.78 20.45 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.39 -0.823 . . . . 64.21 110.899 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.531 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 91.6 m -62.77 120.87 12.09 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.643 0.777 . . . . 74.44 111.465 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -57.08 -27.66 61.93 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.837 0.855 . . . . 61.45 111.011 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' X' ' 331' ' ' CYS . 1.5 m-20 -64.84 -45.24 86.95 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.181 0.992 . . . . 62.33 110.195 176.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.51 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 9.9 m-85 -81.49 -14.85 56.49 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.628 -0.714 . . . . 64.41 111.581 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.55 156.32 36.95 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.215 0.606 . . . . 61.52 110.411 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -66.29 127.2 31.31 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.402 0.681 . . . . 72.25 110.784 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.58 24.62 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 110.831 -0.907 . . . . 31.14 110.831 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.38 168.93 31.26 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.67 -0.572 . . . . 73.31 111.67 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . 0.532 HG23 ' H ' ' X' ' 330' ' ' PHE . 10.2 t -84.18 -14.33 50.42 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.451 0.7 . . . . 74.45 111.359 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 89.28 -0.56 81.38 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 116.34 -0.391 . . . . 42.43 113.356 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . 0.532 ' H ' HG23 ' X' ' 328' ' ' THR . 81.8 t80 -113.71 129.01 56.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.551 1.141 . . . . 71.43 109.774 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.452 ' HG ' ' HE1' ' X' ' 323' ' ' PHE . 90.0 m -89.44 133.21 35.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 123.189 0.596 . . . . 52.24 109.477 169.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.02 -27.5 84.78 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 122.569 2.18 . . . . 65.51 112.122 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -79.72 -30.5 40.93 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.869 -1.06 . . . . 63.51 110.864 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 65.55 -112.65 5.14 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.422 0.451 . . . . 74.52 113.11 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 52.8 tp -69.72 -32.07 70.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.532 0.733 . . . . 75.42 110.164 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -77.1 -1.77 30.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.761 0.824 . . . . 71.53 111.666 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 49.5 t -68.16 119.68 13.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.755 0.822 . . . . 74.14 110.782 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.44 -31.46 69.79 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.815 0.846 . . . . 62.13 109.932 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.538 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 79.7 m-85 -67.31 126.62 29.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.71 -0.677 . . . . 62.15 110.187 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . 0.431 ' H ' ' HG3' ' X' ' 318' ' ' LYS . 84.4 t -67.91 130.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.89 1.276 . . . . 64.22 111.315 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.531 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.5 m170 -89.6 118.89 69.43 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 108.859 -0.793 . . . . 64.31 108.859 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo . . . . . 0 C--N 1.372 1.768 0 C-N-CA 123.343 2.695 . . . . 53.25 113.486 -176.062 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 96.4 mttt . . . . . 0 CA--C 1.534 0.334 0 N-CA-C 107.588 -1.264 . . . . 74.12 107.588 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.42 118.06 4.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.898 0.879 . . . . 64.21 110.013 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 86.9 m -63.15 124.61 21.62 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 122.953 0.501 . . . . 74.44 111.531 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -59.08 -28.64 66.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.797 0.839 . . . . 61.45 111.189 172.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.26 -42.0 80.24 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.542 0.737 . . . . 62.33 110.152 174.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 11.1 m-85 -90.2 2.81 54.98 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.534 0.733 . . . . 64.41 111.948 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.58 159.78 29.02 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.266 0.626 . . . . 61.52 110.221 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -66.27 109.8 2.8 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.411 -0.589 . . . . 72.25 109.411 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.85 14.45 17.3 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.776 -0.647 . . . . 31.14 112.224 -174.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -99.36 -178.35 31.38 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 116.98 0.39 . . . . 73.31 112.41 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 32.3 p -71.09 -39.97 71.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.391 0.676 . . . . 74.45 110.375 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.7 -8.18 61.58 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 114.483 -1.235 . . . . 42.43 112.341 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -114.54 119.62 37.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.4 0.68 . . . . 71.43 110.213 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 68.6 m -77.53 124.0 86.72 Favored Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 109.338 -0.616 . . . . 52.24 109.338 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.05 -23.82 76.05 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.576 2.184 . . . . 65.51 113.095 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -68.32 -21.01 64.78 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.16 0.984 . . . . 63.51 111.158 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.08 -127.48 11.04 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 116.215 -0.448 . . . . 74.52 112.454 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.2 tp -72.94 -26.56 61.43 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.305 0.642 . . . . 75.42 110.449 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -77.91 4.23 12.54 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.83 0.852 . . . . 71.53 112.314 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.4 t -65.02 116.45 6.45 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.77 0.319 . . . . 74.14 110.832 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.11 -34.18 59.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.47 0.708 . . . . 62.13 111.085 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.526 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 78.3 m-85 -60.19 109.57 1.01 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.151 -0.931 . . . . 62.15 109.517 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 89.6 t -64.76 118.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.853 0.72 . . . . 64.22 110.528 -174.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.51 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.8 m170 -68.24 148.19 98.27 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 114.824 -1.08 . . . . 64.31 109.906 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo . . . . . 0 C--N 1.373 1.836 0 C-N-CA 122.484 2.123 . . . . 53.25 112.594 -179.279 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.1 mttp . . . . . 0 N--CA 1.473 0.677 0 N-CA-C 109.341 -0.614 . . . . 74.12 109.341 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.16 125.04 21.99 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.748 0.419 . . . . 64.21 110.165 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 81.7 m -65.22 127.11 30.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.891 0.744 . . . . 74.44 111.733 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.37 -19.46 65.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.086 0.954 . . . . 61.45 110.634 170.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -69.31 -44.92 70.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.574 1.15 . . . . 62.33 109.414 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.86 -13.21 57.93 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.919 -1.037 . . . . 64.41 111.25 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.71 120.43 17.3 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.252 -0.647 . . . . 61.52 109.252 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -64.74 146.5 54.69 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.447 0.699 . . . . 72.25 112.467 -171.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.35 4.18 35.2 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 114.459 -1.246 . . . . 31.14 111.487 -165.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -134.51 -147.64 5.62 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 123.441 0.543 . . . . 73.31 112.071 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 62.2 p -76.22 -37.16 58.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.456 0.702 . . . . 74.45 111.852 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 84.92 -7.38 74.9 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.587 -0.733 . . . . 42.43 111.899 -170.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -114.88 133.01 56.33 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.265 1.026 . . . . 71.43 110.376 -176.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 93.8 m -82.87 125.07 76.19 Favored Pre-proline 0 N--CA 1.469 0.52 0 N-CA-C 108.745 -0.835 . . . . 52.24 108.745 169.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.1 -22.43 67.58 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.583 2.189 . . . . 65.51 112.335 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 58.1 m-85 -75.84 -27.74 57.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.892 0.877 . . . . 63.51 110.935 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 71.96 -117.94 6.69 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 115.644 -0.707 . . . . 74.52 112.174 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.61 -22.39 60.97 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.759 0.824 . . . . 75.42 110.424 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -88.43 19.74 3.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.855 0.862 . . . . 71.53 110.902 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 46.7 t -65.42 135.01 54.7 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.96 0.904 . . . . 74.14 111.75 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.04 -44.27 85.11 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.643 -0.708 . . . . 62.13 109.707 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.653 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 34.5 m-85 -85.5 139.6 31.34 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.185 -0.916 . . . . 62.15 110.039 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 69.1 t -79.04 132.56 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.486 0.714 . . . . 64.22 111.262 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.626 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.0 m170 -81.71 134.87 49.82 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.397 -0.819 . . . . 64.31 108.99 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo . . . . . 0 C--N 1.376 2.008 0 C-N-CA 122.654 2.236 . . . . 53.25 112.116 178.622 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? . . . . . 0 C--O 1.24 0.572 0 N-CA-C 106.054 -1.832 . . . . 74.12 106.054 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 38.1 tp -59.66 124.19 19.31 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.874 0.734 . . . . 64.21 109.432 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 59.4 m -64.43 131.24 46.6 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.4 1.063 . . . . 74.44 109.92 176.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -62.41 -24.33 67.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.77 0.828 . . . . 61.45 110.792 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.57 -44.24 74.87 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.299 1.04 . . . . 62.33 110.046 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -81.26 -6.05 58.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.03 0.932 . . . . 64.41 112.15 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.93 129.63 40.5 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.594 -0.891 . . . . 61.52 108.594 169.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -57.2 127.61 32.86 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.9 0.75 . . . . 72.25 111.903 -166.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.19 1.46 58.19 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.819 -0.628 . . . . 31.14 112.743 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.51 -146.07 10.64 Favored Glycine 0 C--N 1.357 1.695 0 N-CA-C 112.169 -0.372 . . . . 73.31 112.169 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 67.3 p -84.48 -41.94 16.08 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.568 0.699 . . . . 74.45 109.685 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.39 -8.31 75.06 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 114.987 -1.006 . . . . 42.43 113.102 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -115.52 123.54 48.77 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.545 1.138 . . . . 71.43 108.871 176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.69 130.32 68.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 109.031 -0.729 . . . . 52.24 109.031 168.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.65 -24.98 48.24 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.999 2.466 . . . . 65.51 113.59 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -70.95 -44.67 65.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.781 0.832 . . . . 63.51 110.032 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.55 -121.45 6.24 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.763 -0.653 . . . . 74.52 111.972 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.2 tp -74.96 -28.06 60.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.972 0.909 . . . . 75.42 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -84.23 14.69 4.08 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 71.53 112.019 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.48 116.58 11.99 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.763 -0.829 . . . . 74.14 108.763 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.41 -34.14 76.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.731 0.644 . . . . 62.13 110.349 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.454 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 66.1 m-85 -64.68 104.78 0.86 Allowed 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.2 0.937 . . . . 62.15 108.537 177.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.95 128.16 29.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 115.189 -0.914 . . . . 64.22 110.745 -172.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.449 ' CD2' ' SG ' ' X' ' 320' ' ' CYS . 24.5 m170 -80.75 150.14 68.91 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 114.633 -1.167 . . . . 64.31 109.999 -174.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo . . . . . 0 C--N 1.373 1.841 0 C-N-CA 122.716 2.277 . . . . 53.25 112.809 -174.736 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . 0.738 ' HB2' ' H ' ' X' ' 340' ' ' VAL . 26.2 mtpp . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 108.806 -0.812 . . . . 74.12 108.806 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.99 113.55 3.16 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.399 0.679 . . . . 64.21 110.161 -169.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.546 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 58.1 m -63.16 131.82 49.76 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 124.317 1.01 . . . . 74.44 110.955 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -58.09 -27.66 63.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.286 0.991 . . . . 61.45 111.091 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.42 -44.55 78.49 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.255 0.622 . . . . 62.33 110.298 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.477 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 23.5 m-85 -81.44 -4.58 56.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.815 0.846 . . . . 64.41 111.616 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.89 148.92 43.92 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.839 -0.43 . . . . 61.52 109.839 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -61.54 125.29 23.26 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 123.879 0.737 . . . . 72.25 110.976 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.38 -9.26 49.2 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.765 -0.652 . . . . 31.14 112.26 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.76 -173.0 41.06 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 123.314 0.483 . . . . 73.31 112.106 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 76.5 p -76.21 -33.81 59.25 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.968 0.507 . . . . 74.45 110.622 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 91.34 -1.16 76.07 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 114.975 -1.011 . . . . 42.43 112.168 -173.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.08 122.55 45.48 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.333 1.053 . . . . 71.43 110.901 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 95.2 m -81.79 141.48 47.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.15 0.58 . . . . 52.24 109.505 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.03 -33.56 91.72 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.878 2.385 . . . . 65.51 112.629 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -82.24 -18.33 42.89 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.633 -0.712 . . . . 63.51 111.383 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 72.48 -123.25 9.02 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-O 119.728 -0.485 . . . . 74.52 111.905 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.5 tp -73.8 -19.35 60.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.104 0.562 . . . . 75.42 110.891 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -72.66 -14.02 61.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.811 0.445 . . . . 71.53 111.958 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 37.6 t -58.83 119.71 7.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.84 0.856 . . . . 74.14 110.749 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.27 -36.1 82.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.38 0.672 . . . . 62.13 110.663 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.497 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 47.3 m-85 -69.87 121.59 17.6 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.511 -0.768 . . . . 62.15 109.166 177.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . 0.738 ' H ' ' HB2' ' X' ' 318' ' ' LYS . 25.8 t -80.31 136.5 23.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 123.554 0.741 . . . . 64.22 110.633 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.546 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.4 m170 -86.78 132.34 42.54 Favored Pre-proline 0 C--O 1.239 0.509 0 CA-C-N 115.063 -0.971 . . . . 64.31 110.462 -169.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo . . . . . 0 C--N 1.384 2.415 0 C-N-CA 123.141 2.561 . . . . 53.25 110.812 174.779 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 85.2 tttt . . . . . 0 C--O 1.239 0.52 0 N-CA-C 108.399 -0.963 . . . . 74.12 108.399 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . 0.401 HD23 ' O ' ' X' ' 320' ' ' CYS . 7.7 tt -70.13 129.38 39.25 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.297 -1.32 . . . . 64.21 109.748 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 36.2 m -58.82 125.85 25.21 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.73 0.812 . . . . 74.44 110.812 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -62.06 -22.33 65.67 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.158 0.583 . . . . 61.45 110.105 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -63.03 -42.92 99.9 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.397 1.079 . . . . 62.33 110.213 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -84.98 -17.68 36.87 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.948 0.899 . . . . 64.41 111.335 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -76.65 144.26 39.59 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.062 -0.718 . . . . 61.52 109.062 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -62.56 141.29 58.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.649 0.78 . . . . 72.25 111.184 -174.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 100.56 -19.81 50.93 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.886 -0.886 . . . . 31.14 110.886 -163.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.25 -172.08 44.47 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 123.544 0.592 . . . . 73.31 111.75 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 71.6 p -94.42 -11.39 29.91 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.368 0.667 . . . . 74.45 111.851 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.63 69.53 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.726 -0.67 . . . . 42.43 113.304 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -116.13 134.68 54.67 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.322 1.049 . . . . 71.43 109.445 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.19 136.35 35.93 Favored Pre-proline 0 N--CA 1.472 0.632 0 CA-C-O 118.161 -0.924 . . . . 52.24 109.108 168.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.12 -23.12 72.52 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.95 2.434 . . . . 65.51 113.273 -174.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -90.43 -17.85 26.46 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.059 0.944 . . . . 63.51 111.591 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.21 -119.23 6.2 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.713 -0.493 . . . . 74.52 112.184 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.0 tp -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.14 0.576 . . . . 75.42 110.52 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -72.55 -10.63 60.02 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.077 0.551 . . . . 71.53 112.466 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.35 118.36 5.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.293 0.637 . . . . 74.14 111.088 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.97 -25.14 61.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.282 0.989 . . . . 62.13 111.241 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.409 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 65.0 m-85 -73.35 131.28 41.7 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 107.749 -1.204 . . . . 62.15 107.749 169.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 14.9 p -79.55 143.24 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 121.198 0.523 . . . . 64.22 110.785 -175.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.571 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 19.7 m170 -89.03 140.52 29.07 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.281 -0.872 . . . . 64.31 108.784 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 C--N 1.382 2.325 0 C-N-CA 123.589 2.859 . . . . 53.25 112.267 -176.647 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.791 0.329 . . . . 74.12 110.711 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.63 141.16 55.59 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 64.21 112.058 -175.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.514 ' SG ' ' CD2' ' X' ' 341' ' ' HIS . 98.9 m -80.32 133.36 35.94 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.02 -0.536 . . . . 74.44 111.274 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -63.6 -26.54 68.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.479 -1.237 . . . . 61.45 110.783 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -65.35 -40.51 93.7 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.727 0.811 . . . . 62.33 109.558 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.417 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 10.4 m-85 -88.15 5.49 41.07 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.296 1.038 . . . . 64.41 111.804 179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -87.78 157.09 19.12 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.699 0.8 . . . . 61.52 109.603 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.51 121.34 15.11 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.508 0.323 . . . . 72.25 110.434 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.59 26.15 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 116.108 -0.496 . . . . 31.14 111.989 -170.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.1 -177.39 48.97 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.941 -0.464 . . . . 73.31 111.941 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 3.8 m -89.56 -12.02 41.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.387 0.675 . . . . 74.45 111.352 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.53 -9.03 59.99 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.351 -0.841 . . . . 42.43 113.944 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -118.2 139.19 51.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.125 0.97 . . . . 71.43 109.668 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.417 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 86.5 m -92.04 134.77 28.1 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 108.601 -0.888 . . . . 52.24 108.601 167.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -57.34 -24.76 61.93 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.496 2.797 . . . . 65.51 114.617 -171.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -88.34 -8.58 54.88 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.655 0.782 . . . . 63.51 112.086 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.45 -127.53 10.75 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.741 -0.543 . . . . 74.52 111.741 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.35 -19.37 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.62 0.768 . . . . 75.42 110.464 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -75.39 1.22 14.46 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.017 0.927 . . . . 71.53 112.307 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 27.1 t -61.87 140.62 58.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.504 0.721 . . . . 74.14 111.875 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -56.77 -53.54 56.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.833 1.253 . . . . 62.13 111.12 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.441 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 85.6 m-85 -84.56 140.19 31.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 114.911 -1.04 . . . . 62.15 109.998 -178.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.6 p -78.04 141.79 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.679 0.791 . . . . 64.22 110.328 -178.162 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.514 ' CD2' ' SG ' ' X' ' 320' ' ' CYS . 11.0 m80 -92.7 151.5 41.04 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 123.478 0.711 . . . . 64.31 110.195 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo . . . . . 0 C--N 1.369 1.629 0 C-N-CA 122.78 2.32 . . . . 53.25 113.073 169.179 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . 0.427 ' HE3' ' HD1' ' X' ' 339' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.475 0.779 0 CA-C-O 120.465 0.174 . . . . 74.12 111.436 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -72.73 155.25 40.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.879 -0.6 . . . . 64.21 110.556 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 85.3 m -60.74 145.43 49.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.234 0.613 . . . . 74.44 112.107 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -65.16 -26.33 68.12 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.769 -0.651 . . . . 61.45 110.498 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.16 -43.87 97.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.15 0.98 . . . . 62.33 109.993 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.527 ' HE1' ' SG ' ' X' ' 331' ' ' CYS . 10.2 m-85 -90.82 6.38 44.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.409 1.084 . . . . 64.41 111.735 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.95 158.95 33.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.277 0.631 . . . . 61.52 110.711 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -69.67 112.91 6.46 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.052 0.541 . . . . 72.25 110.578 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.32 -0.24 43.7 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.613 -0.595 . . . . 31.14 111.613 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -84.03 -179.01 51.78 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.27 0.462 . . . . 73.31 112.453 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.6 p -80.33 -35.23 35.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.678 0.791 . . . . 74.45 110.565 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 92.95 0.41 68.52 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 114.588 -1.187 . . . . 42.43 112.742 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -110.89 119.11 38.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.745 0.818 . . . . 71.43 110.605 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.527 ' SG ' ' HE1' ' X' ' 323' ' ' PHE . 65.3 m -82.08 137.93 46.13 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.431 0.692 . . . . 52.24 109.971 168.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.57 -27.81 53.44 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.1 2.533 . . . . 65.51 112.299 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -83.77 -17.67 40.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.557 0.743 . . . . 63.51 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.76 -131.51 12.06 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.087 -0.506 . . . . 74.52 112.647 -175.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.9 tp -72.94 -24.64 60.83 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.494 0.718 . . . . 75.42 110.256 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -72.06 -5.15 33.15 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.203 0.601 . . . . 71.53 112.059 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 10.7 t -60.41 119.4 7.91 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.534 0.334 . . . . 74.14 110.972 173.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.46 69.81 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.284 -0.871 . . . . 62.13 111.201 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.427 ' HD1' ' HE3' ' X' ' 318' ' ' LYS . 60.1 m-85 -69.05 115.14 8.0 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.626 -1.25 . . . . 62.15 107.626 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 11.3 p -66.53 138.9 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-O 121.512 0.673 . . . . 64.22 110.746 -172.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.507 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.5 m80 -90.35 150.58 43.22 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 114.573 -1.194 . . . . 64.31 109.424 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo . . . . . 0 C--N 1.376 2.009 0 C-N-CA 122.567 2.178 . . . . 53.25 112.856 177.63 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 23.1 tptm . . . . . 0 CA--C 1.536 0.418 0 N-CA-C 108.144 -1.058 . . . . 74.12 108.144 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.6 121.11 10.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.783 1.233 . . . . 64.21 110.21 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.489 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.7 m -59.48 128.07 35.22 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.084 0.865 . . . . 74.44 111.347 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -26.6 41.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.879 0.871 . . . . 61.45 111.396 174.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . 0.573 ' ND2' ' HD3' ' X' ' 332' ' ' PRO . 9.6 m120 -63.68 -46.11 87.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.74 1.216 . . . . 62.33 110.389 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -87.06 -9.96 54.16 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.256 -0.884 . . . . 64.41 111.628 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.95 146.47 46.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.187 0.595 . . . . 61.52 109.921 170.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -63.08 120.74 12.02 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.888 0.475 . . . . 72.25 110.715 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.18 -9.8 29.05 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-N 115.914 -0.585 . . . . 31.14 112.077 -169.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.75 173.08 39.66 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.511 0.577 . . . . 73.31 112.417 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 41.0 p -70.97 -18.4 62.62 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.066 0.946 . . . . 74.45 112.14 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.77 -11.98 50.32 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.679 1.133 . . . . 42.43 112.759 -174.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -116.03 125.74 52.87 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.506 1.122 . . . . 71.43 109.628 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.85 126.05 92.29 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 108.313 -0.995 . . . . 52.24 108.313 162.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . 0.573 ' HD3' ' ND2' ' X' ' 322' ' ' ASN . 31.3 Cg_exo -60.87 -23.77 77.66 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 122.862 2.375 . . . . 65.51 112.096 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -84.42 -22.13 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.602 -1.181 . . . . 63.51 110.905 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.85 -107.87 1.97 Allowed Glycine 0 C--N 1.352 1.447 0 O-C-N 123.404 0.44 . . . . 74.52 113.813 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.56 -34.73 67.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.236 0.614 . . . . 75.42 109.742 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -77.78 9.62 3.36 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.498 1.119 . . . . 71.53 112.238 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 49.7 t -64.92 142.63 58.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.628 0.771 . . . . 74.14 110.861 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.18 -29.52 11.67 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.774 0.83 . . . . 62.13 110.632 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.06 142.77 32.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.498 0.719 . . . . 62.15 110.45 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 2.6 t -72.84 138.3 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.925 0.89 . . . . 64.22 111.409 -177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.489 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 19.8 m170 -90.02 146.38 34.97 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 108.587 -0.894 . . . . 64.31 108.587 174.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo . . . . . 0 N--CA 1.492 1.394 0 C-N-CA 123.051 2.5 . . . . 53.25 112.978 -177.929 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 13.7 mptt . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 107.712 -1.218 . . . . 74.12 107.712 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 45.2 tp -59.88 129.66 42.95 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 122.79 0.436 . . . . 64.21 110.775 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 73.6 m -64.74 121.83 15.46 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.287 0.635 . . . . 74.44 111.286 177.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -63.0 -26.54 68.9 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.454 1.102 . . . . 61.45 110.392 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -58.66 -45.79 88.6 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.72 0.808 . . . . 62.33 109.61 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.515 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 20.4 m-85 -90.03 6.84 40.58 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.862 -1.063 . . . . 64.41 112.268 -175.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -91.05 157.17 17.41 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.399 0.68 . . . . 61.52 109.515 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 124.83 21.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.678 0.791 . . . . 72.25 110.27 -176.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.03 40.32 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 115.968 -0.56 . . . . 31.14 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -81.03 175.44 54.79 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 123.673 0.278 . . . . 73.31 112.761 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . 0.458 HG23 ' H ' ' X' ' 330' ' ' PHE . 3.9 t -69.38 -26.87 64.87 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.924 0.89 . . . . 74.45 112.084 178.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.61 78.81 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.291 0.472 . . . . 42.43 113.108 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . 0.458 ' H ' HG23 ' X' ' 328' ' ' THR . 47.1 m-85 -115.48 123.81 49.51 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.99 0.916 . . . . 71.43 110.431 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.515 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 73.6 m -80.48 121.35 81.35 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 109.475 -0.565 . . . . 52.24 109.475 170.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -64.78 -20.57 64.91 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.813 2.342 . . . . 65.51 112.944 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -75.94 -24.54 55.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.997 0.919 . . . . 63.51 111.693 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 64.63 -110.37 3.43 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.572 0.545 . . . . 74.52 112.799 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.3 tp -67.02 -33.17 74.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.833 0.853 . . . . 75.42 110.847 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -83.57 6.54 20.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.58 0.752 . . . . 71.53 112.281 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.9 116.92 9.11 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 120.732 0.301 . . . . 74.14 110.711 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.85 -28.25 40.08 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 62.13 110.222 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.44 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 65.1 m-85 -76.61 128.08 34.02 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 115.005 -0.998 . . . . 62.15 108.894 176.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.43 142.25 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 C-N-CA 123.197 0.599 . . . . 64.22 110.603 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.545 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 17.3 m80 -91.23 144.81 30.4 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 123.965 0.906 . . . . 64.31 108.871 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo . . . . . 0 C--N 1.364 1.38 0 C-N-CA 122.389 2.059 . . . . 53.25 111.495 -176.031 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt . . . . . 0 N--CA 1.475 0.825 0 N-CA-C 108.032 -1.099 . . . . 74.12 108.032 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . 0.475 ' HB2' ' HD3' ' X' ' 342' ' ' PRO . 2.6 pt? -67.93 148.74 50.68 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.894 -1.048 . . . . 64.21 111.113 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.576 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 70.0 m -72.49 126.53 30.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.423 -0.808 . . . . 74.44 109.961 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -66.19 -21.04 66.3 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.751 0.657 . . . . 61.45 110.373 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -58.1 -47.27 83.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.574 1.15 . . . . 62.33 109.521 171.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . 0.434 ' HE2' ' HG ' ' X' ' 331' ' ' CYS . 14.9 m-85 -85.9 -22.18 27.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.178 0.991 . . . . 64.41 111.504 -177.647 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.27 53.63 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 122.624 0.37 . . . . 61.52 110.228 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -55.17 127.76 30.73 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.085 0.954 . . . . 72.25 112.256 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 105.42 -20.51 37.18 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 112.07 -0.412 . . . . 31.14 112.07 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.23 -179.49 52.64 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 112.38 -0.288 . . . . 73.31 112.38 172.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 45.7 p -74.26 -29.91 61.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.51 0.724 . . . . 74.45 111.068 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -6.6 63.28 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 115.012 -0.994 . . . . 42.43 112.091 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.46 131.27 56.98 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.042 0.937 . . . . 71.43 111.75 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . 0.434 ' HG ' ' HE2' ' X' ' 323' ' ' PHE . 90.6 m -89.16 136.62 30.07 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 123.429 0.692 . . . . 52.24 109.151 165.697 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.01 -32.06 84.68 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.943 2.429 . . . . 65.51 113.702 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -87.11 -8.92 56.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.444 0.697 . . . . 63.51 111.375 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 70.02 -125.72 16.03 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-O 119.36 -0.689 . . . . 74.52 111.632 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.1 tp -78.57 -15.62 58.35 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.591 0.695 . . . . 75.42 110.862 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -71.82 -4.63 29.04 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.105 0.562 . . . . 71.53 111.914 174.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.91 140.78 23.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.593 1.157 . . . . 74.14 112.773 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.09 -37.27 72.42 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.396 0.678 . . . . 62.13 111.027 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -87.73 145.16 26.26 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.305 -0.861 . . . . 62.15 110.127 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' X' ' 319' ' ' LEU . 53.2 t -79.08 143.1 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.735 0.814 . . . . 64.22 110.135 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.576 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.4 m170 -90.58 123.13 66.08 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.356 -0.979 . . . . 64.31 108.356 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' X' ' 319' ' ' LEU . 15.9 Cg_endo . . . . . 0 C--N 1.375 1.951 0 C-N-CA 123.024 2.483 . . . . 53.25 112.622 177.282 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 N--CA 1.472 0.652 0 N-CA-C 106.863 -1.532 . . . . 74.12 106.863 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 9.2 tt -70.81 126.85 30.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.454 0.702 . . . . 64.21 111.373 -164.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 320' ' ' CYS . . . . . 0.579 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 73.0 m -78.57 119.83 22.4 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 123.175 0.59 . . . . 74.44 110.213 174.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -60.56 -24.8 65.7 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.585 0.754 . . . . 61.45 110.626 171.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -58.12 -46.82 84.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.475 1.11 . . . . 62.33 110.32 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -88.13 -17.57 30.69 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.35 0.66 . . . . 64.41 112.27 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.57 143.66 57.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.449 -0.574 . . . . 61.52 109.449 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -60.73 131.56 51.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.826 0.85 . . . . 72.25 111.225 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.73 -6.05 60.35 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 111.104 -0.798 . . . . 31.14 111.104 -165.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.55 171.16 36.1 Favored Glycine 0 C--N 1.351 1.378 0 C-N-CA 123.747 0.689 . . . . 73.31 113.156 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 328' ' ' THR . . . . . 0.532 HG23 ' H ' ' X' ' 330' ' ' PHE . 8.6 t -81.62 -18.23 45.41 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.73 0.812 . . . . 74.45 111.299 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.74 74.34 Favored Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.412 0.529 . . . . 42.43 113.437 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 330' ' ' PHE . . . . . 0.532 ' H ' HG23 ' X' ' 328' ' ' THR . 83.0 m-85 -111.35 114.71 28.07 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.552 1.141 . . . . 71.43 109.828 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 67.9 m -81.83 137.55 47.1 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 109.003 -0.74 . . . . 52.24 109.003 166.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.47 -20.99 53.9 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.456 2.104 . . . . 65.51 113.034 -172.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 333' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 70.9 m-85 -94.79 -18.04 21.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.032 0.933 . . . . 63.51 111.516 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 67.28 -107.23 1.94 Allowed Glycine 0 C--N 1.349 1.292 0 C-N-CA 123.018 0.342 . . . . 74.52 113.587 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.7 tp -75.02 -34.31 61.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.617 0.767 . . . . 75.42 110.531 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -86.96 20.12 2.77 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.883 -0.599 . . . . 71.53 111.953 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 337' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 49.2 t -67.47 117.26 9.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.941 0.496 . . . . 74.14 110.234 178.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.45 -15.14 62.32 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 62.13 112.055 -178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 339' ' ' PHE . . . . . 0.462 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 95.4 m-85 -94.68 117.2 29.75 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 108.063 -1.088 . . . . 62.15 108.063 171.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.39 133.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 64.22 109.79 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 341' ' ' HIS . . . . . 0.579 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 18.5 m80 -76.88 137.59 66.06 Favored Pre-proline 0 N--CA 1.471 0.58 0 CA-C-N 115.718 -0.673 . . . . 64.31 109.441 -173.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo . . . . . 0 C--N 1.369 1.631 0 C-N-CA 122.162 1.908 . . . . 53.25 111.632 176.247 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 108.951 -0.759 . . . . 74.42 108.951 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -142.45 132.68 24.76 Favored 'General case' 0 N--CA 1.483 1.209 0 C-N-CA 123.433 0.693 . . . . 42.34 110.054 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 40.5 mmtm -93.69 17.33 12.03 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.481 1.112 . . . . 73.52 110.375 169.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 13.7 t80 81.9 -26.7 0.14 Allowed 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 125.316 1.446 . . . . 72.11 111.699 171.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -79.41 74.53 6.03 Favored 'General case' 0 C--N 1.361 1.081 0 C-N-CA 123.173 0.589 . . . . 43.02 109.935 170.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 1.1 p -141.39 63.33 1.44 Allowed 'General case' 0 N--CA 1.472 0.627 0 N-CA-C 107.084 -1.45 . . . . 53.43 107.084 171.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -95.03 87.5 4.94 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 114.299 -1.319 . . . . 74.12 108.79 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . 0.566 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 7.8 tt -62.21 120.06 10.21 Favored 'General case' 0 N--CA 1.476 0.841 0 N-CA-C 108.589 -0.893 . . . . 64.21 108.589 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.513 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 38.1 m -56.58 141.76 41.95 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 124.552 1.158 . . . . 74.44 112.419 -173.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -60.98 -23.18 65.16 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 115.844 -0.617 . . . . 61.45 110.295 169.032 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.2 m120 -65.91 -49.42 68.06 Favored 'General case' 0 C--N 1.352 0.697 0 C-N-CA 123.869 0.868 . . . . 62.33 109.416 173.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -87.84 1.99 52.55 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 124.035 0.934 . . . . 64.41 111.854 -176.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -73.02 133.36 44.22 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 108.954 -0.758 . . . . 61.52 108.954 170.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -64.11 117.76 7.57 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.415 0.686 . . . . 72.25 111.283 -174.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.92 -8.49 27.51 Favored Glycine 0 CA--C 1.531 1.064 0 CA-C-N 116.046 -0.525 . . . . 31.14 112.251 -170.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -91.28 -153.41 29.48 Favored Glycine 0 C--N 1.352 1.424 0 C-N-CA 123.634 0.635 . . . . 73.31 111.924 176.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 44.8 p -82.93 -47.84 11.35 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.396 0.678 . . . . 74.45 110.759 -179.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -7.98 64.06 Favored Glycine 0 N--CA 1.469 0.839 0 CA-C-N 115.086 -0.961 . . . . 42.43 111.889 -175.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 75.4 t80 -116.14 124.12 49.55 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.28 1.032 . . . . 71.43 110.093 176.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 94.9 m -82.77 126.06 74.03 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 108.968 -0.753 . . . . 52.24 108.968 166.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -61.3 -28.96 85.23 Favored 'Trans proline' 0 C--N 1.377 2.068 0 C-N-CA 122.674 2.249 . . . . 65.51 112.553 177.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 90.7 m-85 -77.88 -18.48 56.14 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.985 0.914 . . . . 63.51 111.713 -178.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 68.0 -124.48 20.27 Favored Glycine 0 C--N 1.348 1.246 0 O-C-N 123.448 0.467 . . . . 74.52 113.395 179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.5 tp -67.2 -32.7 73.94 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.904 0.882 . . . . 75.42 110.622 175.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 54.3 mtt85 -72.73 -5.1 35.48 Favored 'General case' 0 CA--C 1.551 1.014 0 C-N-CA 124.037 0.935 . . . . 71.53 112.277 -177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.1 t -59.74 122.58 14.53 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.913 0.885 . . . . 74.14 111.366 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -65.52 -32.33 73.87 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 124.127 0.892 . . . . 62.13 111.252 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.466 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 92.8 m-85 -75.47 125.42 28.98 Favored 'General case' 0 C--O 1.244 0.77 0 CA-C-N 115.666 -0.697 . . . . 62.15 109.211 175.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 57.2 t -76.51 129.55 37.12 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 124.225 1.01 . . . . 64.22 110.224 -175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.513 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 16.2 m80 -86.41 148.78 47.75 Favored Pre-proline 0 N--CA 1.472 0.643 0 N-CA-C 109.378 -0.601 . . . . 64.31 109.378 -177.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . 0.566 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 36.6 Cg_endo -65.79 -15.82 50.64 Favored 'Trans proline' 0 C--N 1.368 1.563 0 C-N-CA 122.124 1.883 . . . . 53.25 112.071 173.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 13.7 m -71.53 -35.35 70.66 Favored 'General case' 0 CA--C 1.548 0.901 0 C-N-CA 123.607 0.763 . . . . 63.11 110.97 174.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 53.5 m-20 -64.46 96.13 0.16 Allowed 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.25 0.62 . . . . 71.23 111.431 -178.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -95.04 169.8 9.86 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.572 0.749 . . . . 71.32 110.052 170.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 . . . . . 0 CA--C 1.568 1.643 0 C-N-CA 123.354 0.662 . . . . 74.32 111.241 177.65 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 30.4 p-10 . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 120.934 0.397 . . . . 74.42 111.094 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 12.2 p-10 -151.15 89.33 1.51 Allowed 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.185 0.994 . . . . 42.34 109.008 -175.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -103.68 47.31 0.88 Allowed 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.321 0.648 . . . . 73.52 110.229 178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -78.96 -29.04 43.72 Favored 'General case' 0 N--CA 1.479 1.007 0 CA-C-N 116.445 -0.343 . . . . 72.11 110.449 179.104 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . 0.437 ' HA ' HG21 ' X' ' 340' ' ' VAL . 84.1 tttt -80.11 80.05 6.58 Favored 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.867 0.841 . . . . 43.02 110.243 -179.456 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 10.2 t -169.98 -31.87 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.209 1.404 . . . . 53.43 108.885 -176.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -78.78 108.43 12.2 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 123.726 0.811 . . . . 74.12 110.704 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . 0.405 HD11 ' HD3' ' X' ' 342' ' ' PRO . 56.0 tp -64.44 144.29 57.29 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-N 114.897 -1.047 . . . . 64.21 109.938 172.118 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.407 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 74.3 m -58.98 132.03 52.82 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 123.012 0.525 . . . . 74.44 110.216 174.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -56.75 -25.7 55.62 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.944 0.898 . . . . 61.45 111.469 173.316 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 11.8 m120 -64.83 -44.67 89.07 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.661 1.184 . . . . 62.33 110.35 175.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . 0.484 ' HE2' ' SG ' ' X' ' 331' ' ' CYS . 39.0 m-85 -88.74 -17.05 30.7 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.812 0.845 . . . . 64.41 111.438 -176.417 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.68 154.68 28.58 Favored 'General case' 0 C--N 1.351 0.659 0 C-N-CA 123.287 0.635 . . . . 61.52 110.467 178.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -62.07 126.2 26.5 Favored 'General case' 0 N--CA 1.489 1.501 0 C-N-CA 123.6 0.76 . . . . 72.25 111.164 -176.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.43 -12.86 56.94 Favored Glycine 0 CA--C 1.536 1.361 0 CA-C-N 115.79 -0.641 . . . . 31.14 112.125 -170.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.16 171.8 34.36 Favored Glycine 0 C--N 1.347 1.153 0 C-N-CA 123.541 0.591 . . . . 73.31 112.395 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . 0.476 HG23 ' H ' ' X' ' 330' ' ' PHE . 13.1 t -85.79 -3.25 58.85 Favored 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 123.79 0.836 . . . . 74.45 112.432 -172.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 74.33 -0.64 53.6 Favored Glycine 0 N--CA 1.478 1.47 0 C-N-CA 123.598 0.618 . . . . 42.43 114.276 -179.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . 0.476 ' H ' HG23 ' X' ' 328' ' ' THR . 79.7 t80 -115.64 118.38 32.94 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.237 1.015 . . . . 71.43 110.611 -175.736 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . 0.484 ' SG ' ' HE2' ' X' ' 323' ' ' PHE . 87.9 m -83.19 130.49 56.78 Favored Pre-proline 0 N--CA 1.476 0.859 0 N-CA-C 108.405 -0.961 . . . . 52.24 108.405 164.117 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_exo -58.62 -30.6 92.6 Favored 'Trans proline' 0 C--N 1.378 2.127 0 C-N-CA 123.363 2.709 . . . . 65.51 112.85 177.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -84.84 -16.39 41.5 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 123.6 0.76 . . . . 63.51 111.646 -176.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.44 -122.45 26.83 Favored Glycine 0 C--N 1.353 1.492 0 CA-C-O 119.73 -0.483 . . . . 74.52 112.902 178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 60.7 tp -64.59 -30.49 71.51 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.043 0.937 . . . . 75.42 111.282 179.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -83.43 2.97 34.01 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 115.321 -0.854 . . . . 71.53 111.731 -177.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 32.5 t -62.79 132.24 51.53 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.623 0.769 . . . . 74.14 110.794 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -81.29 -12.36 59.09 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.9 0.88 . . . . 62.13 111.649 -172.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.407 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 88.2 m-85 -104.74 160.47 14.95 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.43 0.692 . . . . 62.15 110.328 -179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.437 HG21 ' HA ' ' X' ' 316' ' ' LYS . 18.9 t -82.36 132.11 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 CA-C-N 114.926 -1.033 . . . . 64.22 111.356 -167.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . . . . . . . . . 22.0 m170 -92.52 154.63 42.57 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 124.318 1.047 . . . . 64.31 109.13 174.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . 0.405 ' HD3' HD11 ' X' ' 319' ' ' LEU . 80.3 Cg_endo -74.84 -15.72 21.01 Favored 'Trans proline' 0 C--N 1.379 2.161 0 C-N-CA 122.233 1.956 . . . . 53.25 111.241 -177.083 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 13.6 m -109.26 67.27 0.65 Allowed 'General case' 0 CA--C 1.543 0.699 0 N-CA-C 108.149 -1.056 . . . . 63.11 108.149 167.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -75.45 138.34 41.56 Favored 'General case' 0 N--CA 1.476 0.866 0 CA-C-N 114.854 -1.066 . . . . 71.23 109.846 -179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -135.75 166.63 22.83 Favored 'General case' 0 N--CA 1.487 1.408 0 C-N-CA 124.304 1.041 . . . . 71.32 110.849 -175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 . . . . . 0 C--O 1.25 1.131 0 N-CA-C 108.399 -0.963 . . . . 74.32 108.399 168.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 28.8 p-10 . . . . . 0 N--CA 1.485 1.319 0 CA-C-O 120.318 0.104 . . . . 74.42 111.171 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -83.3 68.06 9.5 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.941 0.897 . . . . 42.34 109.157 177.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -153.24 70.04 0.85 Allowed 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.437 -0.949 . . . . 73.52 108.437 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 -67.19 -38.62 85.67 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 114.425 -1.261 . . . . 72.11 109.764 175.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 83.8 tttt -63.56 84.33 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 125.421 1.488 . . . . 43.02 110.907 -179.004 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 4.5 t -81.34 -44.34 17.77 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.215 0.606 . . . . 53.43 109.708 175.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 30.6 mtmm -144.09 106.86 4.45 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 124.796 1.238 . . . . 74.12 107.986 -179.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 61.0 tp -60.53 136.29 58.01 Favored 'General case' 0 C--O 1.24 0.571 0 O-C-N 124.426 1.079 . . . . 64.21 110.667 175.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.569 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 60.4 m -67.25 135.4 53.33 Favored 'General case' 0 C--O 1.239 0.51 0 C-N-CA 123.458 0.703 . . . . 74.44 109.661 171.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.4 pttm -64.37 -20.08 65.89 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 120.994 0.426 . . . . 61.45 110.393 171.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -64.28 -47.19 80.47 Favored 'General case' 0 C--N 1.354 0.802 0 CA-C-N 115.257 -0.883 . . . . 62.33 109.438 172.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -87.54 1.53 53.3 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 115.341 -0.845 . . . . 64.41 111.337 -177.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -86.68 159.49 19.17 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.666 0.786 . . . . 61.52 109.926 171.434 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . 0.4 ' N ' ' HD2' ' X' ' 325' ' ' ARG . 6.9 mpt_? -71.41 121.95 19.5 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.321 0.648 . . . . 72.25 110.048 -177.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 112.04 -20.62 21.52 Favored Glycine 0 CA--C 1.531 1.056 0 CA-C-N 115.686 -0.688 . . . . 31.14 111.691 -170.629 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.88 166.05 32.34 Favored Glycine 0 C--N 1.352 1.454 0 N-CA-C 111.23 -0.748 . . . . 73.31 111.23 170.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 82.1 p -72.73 -28.03 62.41 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 123.662 0.785 . . . . 74.45 111.85 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 99.93 -6.35 58.44 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 115.536 -0.756 . . . . 42.43 112.468 -177.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 50.8 m-85 -114.75 116.78 29.2 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.644 0.778 . . . . 71.43 110.227 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 72.1 m -76.25 135.36 69.66 Favored Pre-proline 0 CA--C 1.547 0.857 0 CA-C-O 118.679 -0.677 . . . . 52.24 109.639 171.16 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -56.89 -28.65 78.42 Favored 'Trans proline' 0 C--N 1.376 1.986 0 C-N-CA 122.825 2.35 . . . . 65.51 113.456 179.327 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -80.84 -29.19 35.91 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.8 0.84 . . . . 63.51 111.503 178.216 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.2 -123.18 7.73 Favored Glycine 0 C--N 1.348 1.228 0 CA-C-O 119.416 -0.658 . . . . 74.52 112.051 -178.472 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.3 tp -60.03 -34.56 73.54 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.696 0.798 . . . . 75.42 110.353 173.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 79.7 mtp180 -74.48 2.89 8.54 Favored 'General case' 0 CA--C 1.552 1.041 0 C-N-CA 124.206 1.003 . . . . 71.53 112.725 -176.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -67.13 129.77 40.96 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.532 0.733 . . . . 74.14 111.277 178.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -73.67 -37.96 65.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.221 1.008 . . . . 62.13 111.258 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -70.96 123.19 21.46 Favored 'General case' 0 C--N 1.354 0.77 0 N-CA-C 108.536 -0.913 . . . . 62.15 108.536 174.18 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 47.5 t -76.19 135.57 26.6 Favored 'Isoleucine or valine' 0 C--O 1.241 0.607 0 O-C-N 123.623 0.577 . . . . 64.22 110.386 -173.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.569 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 29.2 m170 -82.13 152.85 68.79 Favored Pre-proline 0 CA--C 1.546 0.798 0 CA-C-N 114.861 -1.063 . . . . 64.31 110.138 -177.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -72.22 -14.59 28.6 Favored 'Trans proline' 0 C--N 1.372 1.802 0 C-N-CA 122.593 2.195 . . . . 53.25 111.995 -178.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 22.1 p -92.38 -12.31 32.63 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.391 1.076 . . . . 63.11 112.035 178.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -60.9 130.31 45.83 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.351 0.66 . . . . 71.23 109.864 -177.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -150.79 29.47 0.67 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.705 0.802 . . . . 71.32 110.092 -172.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 . . . . . 0 CA--C 1.557 1.238 0 C-N-CA 123.109 0.564 . . . . 74.32 110.574 -173.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 10.4 p30 . . . . . 0 N--CA 1.487 1.39 0 N-CA-C 112.062 0.393 . . . . 74.42 112.062 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . 0.591 ' HB2' ' HB3' ' X' ' 316' ' ' LYS . 0.9 OUTLIER -122.26 153.89 38.27 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-O 121.056 0.455 . . . . 42.34 111.319 -169.766 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . 0.49 ' HB3' ' HA ' ' X' ' 343' ' ' THR . 25.4 tptp -138.27 88.93 2.35 Favored 'General case' 0 C--O 1.239 0.511 0 N-CA-C 106.574 -1.639 . . . . 73.52 106.574 172.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 58.7 t80 65.17 18.32 11.38 Favored 'General case' 0 CA--C 1.558 1.283 0 C-N-CA 125.065 1.346 . . . . 72.11 111.425 -178.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . 0.591 ' HB3' ' HB2' ' X' ' 313' ' ' ASN . 24.9 ttpp -67.03 88.63 0.16 Allowed 'General case' 0 CA--C 1.555 1.164 0 CA-C-O 122.129 0.966 . . . . 43.02 111.094 -175.572 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 27.7 p -100.96 -54.88 2.7 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 125.143 1.377 . . . . 53.43 108.122 174.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -102.48 95.14 6.06 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 114.791 -1.095 . . . . 74.12 108.236 174.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 32.3 tp -73.93 127.47 32.96 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 117.87 0.305 . . . . 64.21 110.516 178.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.547 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 80.7 m -69.38 125.92 28.16 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.602 0.564 . . . . 74.44 110.333 170.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -59.59 -27.41 66.26 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.113 0.965 . . . . 61.45 110.209 171.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -62.43 -43.65 98.31 Favored 'General case' 0 C--N 1.349 0.57 0 C-N-CA 124.921 1.288 . . . . 62.33 110.624 177.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -91.82 -12.14 34.57 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.2 1.0 . . . . 64.41 111.405 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.69 158.92 29.46 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.359 0.664 . . . . 61.52 109.631 174.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.3 ptp85 -54.97 136.5 47.48 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 124.247 1.019 . . . . 72.25 112.132 -174.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 94.71 -9.93 70.83 Favored Glycine 0 CA--C 1.533 1.217 0 CA-C-N 115.775 -0.648 . . . . 31.14 112.768 -173.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -94.29 -167.72 37.11 Favored Glycine 0 C--N 1.356 1.641 0 CA-C-N 116.945 0.372 . . . . 73.31 112.472 175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 74.9 p -116.95 -21.81 8.76 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.657 0.783 . . . . 74.45 110.595 -179.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 95.63 20.94 25.41 Favored Glycine 0 C--N 1.346 1.092 0 O-C-N 123.293 0.371 . . . . 42.43 112.348 -176.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.2 t80 -114.79 109.83 18.77 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.565 0.746 . . . . 71.43 110.57 174.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 97.1 m -83.22 122.67 77.51 Favored Pre-proline 0 CA--C 1.548 0.896 0 N-CA-C 108.677 -0.86 . . . . 52.24 108.677 165.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -70.28 -12.45 31.94 Favored 'Trans proline' 0 C--N 1.377 2.049 0 C-N-CA 122.487 2.124 . . . . 65.51 112.825 179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -85.69 -34.05 21.38 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.73 0.812 . . . . 63.51 110.533 177.29 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 59.94 -100.66 0.21 Allowed Glycine 0 C--N 1.352 1.444 0 O-C-N 123.905 0.753 . . . . 74.52 113.304 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.7 tp -69.39 -35.54 75.89 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.644 0.778 . . . . 75.42 110.531 179.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 91.5 mtt180 -84.29 12.04 7.34 Favored 'General case' 0 CA--C 1.551 0.991 0 CA-C-N 115.659 -0.701 . . . . 71.53 112.146 -177.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 48.0 t -75.06 119.03 18.67 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 123.634 0.774 . . . . 74.14 109.792 177.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -65.29 -38.04 89.0 Favored 'General case' 0 N--CA 1.48 1.031 0 CA-C-O 121.486 0.66 . . . . 62.13 110.323 174.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 85.8 m-85 -80.65 122.17 26.77 Favored 'General case' 0 C--O 1.242 0.688 0 CA-C-N 114.209 -1.36 . . . . 62.15 110.185 -174.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 6.4 p -74.0 145.1 11.76 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 CA-C-N 114.757 -1.11 . . . . 64.22 110.01 177.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.547 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 23.6 m170 -86.7 136.76 34.33 Favored Pre-proline 0 CA--C 1.553 1.072 0 CA-C-N 115.778 -0.646 . . . . 64.31 109.673 -174.099 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . 0.525 ' HB3' ' HD3' ' X' ' 316' ' ' LYS . 12.7 Cg_endo -52.04 -31.07 42.74 Favored 'Trans proline' 0 C--N 1.388 2.64 0 C-N-CA 124.244 3.296 . . . . 53.25 114.04 -170.215 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . 0.49 ' HA ' ' HB3' ' X' ' 314' ' ' LYS . 87.0 m -141.45 81.14 1.76 Allowed 'General case' 0 C--O 1.241 0.607 0 N-CA-C 107.294 -1.373 . . . . 63.11 107.294 165.331 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -75.1 108.75 8.05 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 108.998 -0.741 . . . . 71.23 108.998 174.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 37.2 mtmm -80.63 94.79 6.39 Favored 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 109.542 -0.54 . . . . 71.32 109.542 -177.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--O 1.249 1.054 0 C-N-CA 124.319 1.047 . . . . 74.32 108.978 176.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 56.8 t30 . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 119.117 -0.468 . . . . 74.42 109.954 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 48.4 t30 82.09 -50.67 0.22 Allowed 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 126.147 1.779 . . . . 42.34 110.595 177.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -73.08 90.36 1.53 Allowed 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.463 0.705 . . . . 73.52 110.658 179.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 79.4 m-85 -124.33 23.87 8.18 Favored 'General case' 0 C--O 1.242 0.708 0 C-N-CA 124.245 1.018 . . . . 72.11 109.775 173.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 53.7 mttm -71.66 90.05 1.03 Allowed 'General case' 0 C--N 1.349 0.56 0 N-CA-C 108.306 -0.998 . . . . 43.02 108.306 176.253 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 2.3 m -89.85 59.43 4.6 Favored 'General case' 0 C--O 1.242 0.699 0 CA-C-O 122.31 1.053 . . . . 53.43 109.275 -174.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -116.88 56.91 0.79 Allowed 'General case' 0 C--N 1.343 0.299 0 CA-C-N 114.487 -1.233 . . . . 74.12 108.324 176.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . 0.417 ' HG ' ' HD3' ' X' ' 342' ' ' PRO . 8.4 tt -62.53 127.42 31.24 Favored 'General case' 0 N--CA 1.467 0.421 0 N-CA-C 107.331 -1.359 . . . . 64.21 107.331 174.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.647 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 82.6 m -57.89 122.21 12.38 Favored 'General case' 0 N--CA 1.467 0.378 0 O-C-N 123.718 0.636 . . . . 74.44 111.281 -176.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.2 pttt -58.98 -22.57 60.67 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 124.234 0.959 . . . . 61.45 111.261 173.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 7.3 m120 -69.74 -46.71 65.26 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-N 115.066 -0.97 . . . . 62.33 109.315 173.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . 0.542 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 15.9 m-85 -86.14 2.44 46.75 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 124.468 1.107 . . . . 64.41 111.62 -178.129 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -62.92 144.69 56.5 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 122.931 0.492 . . . . 61.52 110.259 177.73 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 69.5 mtt85 -68.35 109.48 3.66 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.611 0.764 . . . . 72.25 108.963 178.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.44 11.2 24.01 Favored Glycine 0 CA--C 1.531 1.079 0 CA-C-N 115.152 -0.931 . . . . 31.14 111.611 -168.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -112.42 -158.13 13.76 Favored Glycine 0 C--N 1.345 1.079 0 C-N-CA 123.384 0.516 . . . . 73.31 112.512 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 48.7 p -80.84 -46.47 15.27 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 121.751 0.786 . . . . 74.45 111.177 -177.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.56 -8.32 61.95 Favored Glycine 0 CA--C 1.525 0.691 0 CA-C-N 114.61 -1.177 . . . . 42.43 112.177 -177.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 95.6 m-85 -115.96 126.2 53.55 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.277 1.031 . . . . 71.43 109.892 177.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 87.9 m -80.83 142.86 52.99 Favored Pre-proline 0 N--CA 1.477 0.923 0 N-CA-C 109.352 -0.61 . . . . 52.24 109.352 167.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_endo -67.39 -12.61 36.43 Favored 'Trans proline' 0 C--N 1.374 1.888 0 C-N-CA 122.679 2.253 . . . . 65.51 112.629 176.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -89.18 -23.37 22.43 Favored 'General case' 0 CA--C 1.551 0.997 0 C-N-CA 123.863 0.865 . . . . 63.51 110.206 176.266 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.88 -132.09 12.6 Favored Glycine 0 C--N 1.353 1.481 0 CA-C-N 115.851 -0.613 . . . . 74.52 111.978 -176.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 36.1 tp -74.83 -14.29 60.67 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 123.635 0.774 . . . . 75.42 110.145 176.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 73.5 mtp180 -87.11 17.07 4.46 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 124.182 0.993 . . . . 71.53 111.461 178.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.7 t -71.95 143.68 49.18 Favored 'General case' 0 N--CA 1.469 0.513 0 C-N-CA 123.429 0.691 . . . . 74.14 112.095 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -76.47 -31.81 58.0 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 123.905 0.882 . . . . 62.13 111.367 -179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.641 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 70.9 m-85 -91.98 154.45 18.79 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 115.089 -0.959 . . . . 62.15 111.415 -169.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 60.3 t -69.44 125.4 27.37 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.857 0 C-N-CA 124.738 1.215 . . . . 64.22 111.407 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.647 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 61.5 m170 -88.02 126.6 60.54 Favored Pre-proline 0 CA--C 1.549 0.933 0 C-N-CA 123.486 0.714 . . . . 64.31 109.874 174.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . 0.417 ' HD3' ' HG ' ' X' ' 319' ' ' LEU . 54.5 Cg_endo -67.62 -32.06 31.71 Favored 'Trans proline' 0 C--N 1.382 2.322 0 C-N-CA 122.743 2.295 . . . . 53.25 110.84 174.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 39.3 p -66.23 -31.61 72.53 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.536 1.134 . . . . 63.11 110.631 177.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -74.35 100.01 3.65 Favored 'General case' 0 C--N 1.353 0.73 0 N-CA-C 107.989 -1.115 . . . . 71.23 107.989 171.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 48.4 mtpt -80.52 149.18 30.09 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 123.65 0.78 . . . . 71.32 111.172 -171.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 16.4 tp10 . . . . . 0 CA--C 1.553 1.077 0 C-N-CA 123.498 0.719 . . . . 74.32 109.89 -178.909 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 109.577 -0.527 . . . . 74.42 109.577 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 51.1 m-80 -138.46 97.0 3.26 Favored 'General case' 0 N--CA 1.482 1.159 0 C-N-CA 123.009 0.523 . . . . 42.34 109.79 -178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 49.2 mtmt -121.55 24.34 9.88 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 124.357 1.063 . . . . 73.52 110.906 -177.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -159.6 72.63 0.53 Allowed 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.505 0.669 . . . . 72.11 110.161 177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -154.98 94.96 1.7 Allowed 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.296 -1.002 . . . . 43.02 108.296 168.526 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 8.8 m 55.37 71.18 0.56 Allowed 'General case' 0 C--O 1.243 0.76 0 C-N-CA 124.698 1.199 . . . . 53.43 110.646 -174.664 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . 0.52 ' HB2' ' HA ' ' X' ' 339' ' ' PHE . 45.1 mtmt -75.98 88.52 2.94 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.326 -0.852 . . . . 74.12 109.293 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -54.94 117.44 3.44 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 124.099 0.874 . . . . 64.21 108.95 -178.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.53 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 89.0 m -63.98 127.49 31.64 Favored 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.787 -0.642 . . . . 74.44 111.441 -178.567 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -61.9 -24.69 67.1 Favored 'General case' 0 CA--C 1.545 0.783 0 O-C-N 124.272 0.983 . . . . 61.45 110.59 172.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -64.42 -46.54 82.8 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 123.998 0.919 . . . . 62.33 109.769 172.355 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . 0.462 ' HE2' ' SG ' ' X' ' 331' ' ' CYS . 31.7 m-85 -89.4 0.22 57.0 Favored 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 123.92 0.888 . . . . 64.41 111.71 -176.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.87 157.61 37.12 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 122.846 0.458 . . . . 61.52 110.084 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 63.3 mtt85 -68.02 120.29 14.02 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.63 0.772 . . . . 72.25 110.556 -177.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 102.08 -15.16 56.82 Favored Glycine 0 C--N 1.342 0.881 0 N-CA-C 111.866 -0.494 . . . . 31.14 111.866 -171.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -85.06 174.53 49.5 Favored Glycine 0 C--N 1.346 1.093 0 C-N-CA 123.386 0.517 . . . . 73.31 112.16 171.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.2 p -70.58 -51.13 30.48 Favored 'General case' 0 N--CA 1.479 0.982 0 C-N-CA 123.397 0.679 . . . . 74.45 111.715 -175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 101.14 4.25 53.9 Favored Glycine 0 CA--C 1.523 0.558 0 CA-C-N 115.346 -0.843 . . . . 42.43 111.67 -172.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -113.69 121.22 43.45 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 123.974 0.909 . . . . 71.43 109.606 172.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . 0.462 ' SG ' ' HE2' ' X' ' 323' ' ' PHE . 87.2 m -85.22 142.89 38.61 Favored Pre-proline 0 N--CA 1.477 0.881 0 C-N-CA 122.971 0.509 . . . . 52.24 110.318 171.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.0 Cg_endo -65.33 -23.91 58.4 Favored 'Trans proline' 0 C--N 1.38 2.196 0 C-N-CA 123.093 2.528 . . . . 65.51 112.952 179.479 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 82.5 m-85 -91.04 -20.41 22.11 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.465 0.706 . . . . 63.51 110.761 175.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 66.95 -109.02 2.68 Favored Glycine 0 C--N 1.354 1.554 0 O-C-N 123.538 0.524 . . . . 74.52 112.869 -177.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.7 tp -75.6 -32.77 60.43 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.498 0.719 . . . . 75.42 110.281 177.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -76.46 7.96 3.94 Favored 'General case' 0 N--CA 1.487 1.416 0 C-N-CA 123.255 0.622 . . . . 71.53 112.188 -178.715 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 45.5 t -66.53 119.37 11.57 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 123.642 0.777 . . . . 74.14 111.648 -179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -66.25 -26.46 67.36 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.222 1.009 . . . . 62.13 110.918 175.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.52 ' HA ' ' HB2' ' X' ' 318' ' ' LYS . 55.2 m-85 -81.58 122.01 27.04 Favored 'General case' 0 C--O 1.243 0.748 0 C-N-CA 124.231 1.013 . . . . 62.15 108.624 177.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 63.3 t -75.93 132.21 33.53 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 C-N-CA 123.905 0.882 . . . . 64.22 111.067 -174.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.808 ' HB2' ' HB3' ' X' ' 344' ' ' ASP . 10.4 m80 -88.04 118.77 70.02 Favored Pre-proline 0 CA--C 1.542 0.661 0 N-CA-C 107.892 -1.151 . . . . 64.31 107.892 -179.557 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -56.41 -37.72 96.59 Favored 'Trans proline' 0 C--N 1.38 2.223 0 C-N-CA 123.187 2.591 . . . . 53.25 114.056 -171.555 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 8.9 m -86.19 -33.19 20.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 123.471 0.708 . . . . 63.11 110.997 -179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . 0.808 ' HB3' ' HB2' ' X' ' 341' ' ' HIS . 19.4 t70 -85.1 93.12 8.54 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-O 121.578 0.704 . . . . 71.23 109.748 178.205 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -83.47 135.7 34.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.824 0.85 . . . . 71.32 111.382 -177.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 . . . . . 0 C--O 1.254 1.312 0 N-CA-C 107.12 -1.437 . . . . 74.32 107.12 168.624 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 110.237 -0.283 . . . . 74.42 110.237 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 47.0 t-20 -66.17 105.5 1.41 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.471 0.708 . . . . 42.34 109.308 173.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 48.4 mtmt -111.12 57.55 0.62 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 123.745 0.818 . . . . 73.52 110.044 178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 18.7 m-85 -89.64 29.33 1.16 Allowed 'General case' 0 N--CA 1.487 1.382 0 CA-C-N 115.459 -0.791 . . . . 72.11 108.95 159.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -172.75 143.38 1.26 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.214 1.406 . . . . 43.02 107.906 -167.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 98.5 m -147.71 -63.48 0.27 Allowed 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 106.605 -1.628 . . . . 53.43 106.605 -177.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -138.81 113.37 8.97 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.033 -1.099 . . . . 74.12 108.033 163.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 56.9 tp -56.17 135.96 52.95 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.602 -0.888 . . . . 64.21 108.602 166.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.556 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.3 m -63.59 128.91 37.96 Favored 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.831 0.707 . . . . 74.44 111.08 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -59.14 -23.92 62.57 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.154 1.382 . . . . 61.45 111.342 171.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.8 m120 -67.53 -46.88 71.51 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 115.244 -0.889 . . . . 62.33 109.397 173.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -75.13 -25.13 58.18 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.771 0.828 . . . . 64.41 111.103 -177.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.41 127.58 33.39 Favored 'General case' 0 C--O 1.24 0.57 0 N-CA-C 108.654 -0.869 . . . . 61.52 108.654 171.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -62.11 138.42 58.39 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 123.737 0.648 . . . . 72.25 110.346 -174.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.0 -22.19 23.71 Favored Glycine 0 C--N 1.341 0.814 0 N-CA-C 109.904 -1.278 . . . . 31.14 109.904 -162.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.28 -147.35 11.92 Favored Glycine 0 C--N 1.352 1.45 0 N-CA-C 110.895 -0.882 . . . . 73.31 110.895 165.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 34.9 p -107.4 -21.01 13.08 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.899 0.88 . . . . 74.45 111.632 -178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 90.73 -12.69 67.93 Favored Glycine 0 N--CA 1.473 1.102 0 C-N-CA 124.669 1.128 . . . . 42.43 112.728 -171.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -118.05 132.84 56.33 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 124.663 1.185 . . . . 71.43 110.021 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 77.3 m -81.92 121.72 79.41 Favored Pre-proline 0 N--CA 1.475 0.78 0 CA-C-O 118.22 -0.895 . . . . 52.24 109.245 168.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.22 -33.03 89.69 Favored 'Trans proline' 0 C--N 1.38 2.221 0 C-N-CA 123.956 3.104 . . . . 65.51 113.629 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 47.6 m-85 -78.05 -18.33 55.94 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.169 0.988 . . . . 63.51 111.121 -177.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 80.17 -129.37 9.06 Favored Glycine 0 C--N 1.35 1.319 0 N-CA-C 110.856 -0.897 . . . . 74.52 110.856 -173.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 49.9 tp -69.02 -21.4 64.13 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.075 0.95 . . . . 75.42 111.42 175.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 30.0 mtp180 -69.83 -12.18 61.43 Favored 'General case' 0 N--CA 1.487 1.39 0 C-N-CA 124.14 0.976 . . . . 71.53 112.532 -178.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 26.8 t -54.82 127.36 28.12 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 124.341 1.056 . . . . 74.14 112.368 178.248 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -59.18 -33.58 71.12 Favored 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 124.85 1.26 . . . . 62.13 111.813 179.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 49.3 m-85 -80.36 131.19 35.59 Favored 'General case' 0 C--O 1.244 0.764 0 N-CA-C 108.527 -0.916 . . . . 62.15 108.527 176.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -76.07 142.96 13.72 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 O-C-N 123.678 0.611 . . . . 64.22 110.106 -175.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.556 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 24.9 m80 -90.93 142.52 27.57 Favored Pre-proline 0 N--CA 1.473 0.688 0 C-N-CA 123.62 0.768 . . . . 64.31 109.992 -175.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 68.7 Cg_endo -68.92 -25.55 32.48 Favored 'Trans proline' 0 C--N 1.379 2.184 0 C-N-CA 122.322 2.014 . . . . 53.25 111.476 -179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 10.0 m -96.21 89.09 5.0 Favored 'General case' 0 CA--C 1.547 0.862 0 N-CA-C 108.704 -0.85 . . . . 63.11 108.704 174.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -140.54 93.44 2.62 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 106.977 -1.49 . . . . 71.23 106.977 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 12.5 ptmm? -115.66 17.87 16.03 Favored 'General case' 0 N--CA 1.481 1.112 0 C-N-CA 123.813 0.845 . . . . 71.32 110.763 -171.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 . . . . . 0 CA--C 1.547 0.863 0 C-N-CA 124.409 1.083 . . . . 74.32 109.923 -175.707 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 17.8 p-10 . . . . . 0 N--CA 1.48 1.064 0 CA-C-O 121.204 0.526 . . . . 74.42 109.835 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -89.35 156.68 18.55 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.754 0.822 . . . . 42.34 109.728 -178.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -84.77 37.35 0.65 Allowed 'General case' 0 N--CA 1.489 1.484 0 C-N-CA 123.755 0.822 . . . . 73.52 110.028 174.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 33.1 t80 -55.81 -67.28 0.3 Allowed 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.191 1.396 . . . . 72.11 112.011 -171.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . 0.491 ' HG3' ' HB ' ' X' ' 340' ' ' VAL . 21.5 tptm -96.64 -25.77 15.45 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 122.653 0.381 . . . . 43.02 110.107 179.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 29.3 m -63.34 86.03 0.03 OUTLIER 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 123.777 0.831 . . . . 53.43 111.12 -179.181 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 46.0 mtmt -147.89 106.1 3.75 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 106.585 -1.635 . . . . 74.12 106.585 -179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 50.6 tp -70.96 134.04 46.87 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 122.736 0.414 . . . . 64.21 110.602 -179.01 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.557 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 60.1 m -69.12 128.54 37.0 Favored 'General case' 0 C--O 1.241 0.62 0 CA-C-N 115.22 -0.9 . . . . 74.44 110.635 173.067 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.66 -25.35 68.17 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 121.244 0.545 . . . . 61.45 109.547 168.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -64.9 -45.26 86.66 Favored 'General case' 0 C--N 1.347 0.46 0 CA-C-N 114.672 -1.149 . . . . 62.33 110.906 178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.8 m-85 -86.59 9.5 18.32 Favored 'General case' 0 N--CA 1.484 1.267 0 N-CA-C 112.967 0.728 . . . . 64.41 112.967 -172.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.42 121.43 15.75 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 108.721 -0.844 . . . . 61.52 108.721 168.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -63.76 125.28 23.83 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 123.539 0.736 . . . . 72.25 110.772 -177.008 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 108.91 -19.55 30.21 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.356 -0.838 . . . . 31.14 111.654 -168.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.49 -158.83 34.99 Favored Glycine 0 C--N 1.352 1.445 0 C-N-CA 123.473 0.558 . . . . 73.31 112.575 178.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 9.7 t -66.88 -36.23 81.83 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.509 0.724 . . . . 74.45 111.374 -178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 78.09 -9.48 32.29 Favored Glycine 0 C--N 1.342 0.9 0 CA-C-N 115.544 -0.753 . . . . 42.43 114.791 -179.529 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 42.6 t80 -117.11 137.08 52.53 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.652 0.781 . . . . 71.43 110.199 -179.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 84.6 m -90.9 147.19 35.37 Favored Pre-proline 0 N--CA 1.479 1.024 0 CA-C-O 118.919 -0.562 . . . . 52.24 110.477 172.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.85 -26.27 67.45 Favored 'Trans proline' 0 C--N 1.38 2.213 0 C-N-CA 122.621 2.214 . . . . 65.51 112.749 -178.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -94.5 -23.54 17.66 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.605 0.762 . . . . 63.51 110.601 175.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 62.74 -103.62 0.66 Allowed Glycine 0 C--N 1.35 1.346 0 O-C-N 123.764 0.665 . . . . 74.52 112.962 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.64 -32.31 73.91 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.163 0.985 . . . . 75.42 110.642 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 19.8 mmm-85 -92.14 17.55 9.38 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 115.063 -0.972 . . . . 71.53 111.919 -173.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . 0.499 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 50.4 t -80.35 121.3 25.52 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 123.596 0.759 . . . . 74.14 110.934 -178.298 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -73.2 -23.72 60.43 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.3 0.64 . . . . 62.13 110.849 179.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.499 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 98.5 m-85 -71.27 112.6 7.54 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 107.701 -1.222 . . . . 62.15 107.701 165.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.491 ' HB ' ' HG3' ' X' ' 316' ' ' LYS . 6.0 p -75.71 144.81 11.51 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 CA-C-O 121.131 0.491 . . . . 64.22 110.199 -174.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.557 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 21.7 m170 -90.08 139.47 27.28 Favored Pre-proline 0 N--CA 1.471 0.576 0 C-N-CA 123.689 0.796 . . . . 64.31 110.035 -173.168 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -70.73 -24.02 25.7 Favored 'Trans proline' 0 C--N 1.372 1.803 0 C-N-CA 122.321 2.014 . . . . 53.25 112.422 -173.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 38.4 p -69.52 -28.4 66.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.129 0.972 . . . . 63.11 112.03 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -157.02 98.65 1.77 Allowed 'General case' 0 C--O 1.241 0.63 0 CA-C-O 122.068 0.937 . . . . 71.23 108.984 177.499 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 1.6 ttpp -91.81 102.95 15.55 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.564 -0.744 . . . . 71.32 110.242 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.251 1.155 0 N-CA-C 108.055 -1.091 . . . . 74.32 108.055 168.77 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.593 0.235 . . . . 74.42 110.441 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -135.02 129.95 34.92 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.628 1.171 . . . . 42.34 108.215 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -87.37 59.13 5.36 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.624 0.77 . . . . 73.52 110.763 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -110.02 -9.51 14.74 Favored 'General case' 0 N--CA 1.491 1.623 0 C-N-CA 123.26 0.624 . . . . 72.11 110.714 174.385 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . 0.527 ' HD2' ' H ' ' X' ' 316' ' ' LYS . 0.0 OUTLIER -75.62 -9.28 58.45 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 122.989 0.516 . . . . 43.02 110.13 169.077 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 8.8 t -115.16 159.38 20.99 Favored 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 124.433 1.093 . . . . 53.43 109.426 170.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . 0.528 ' HG3' ' HA ' ' X' ' 339' ' ' PHE . 8.4 ptpp? -142.35 84.5 1.87 Allowed 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.909 -0.775 . . . . 74.12 108.909 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.5 tt -57.94 124.78 20.45 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.39 -0.823 . . . . 64.21 110.899 -175.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.531 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 91.6 m -62.77 120.87 12.09 Favored 'General case' 0 C--N 1.355 0.815 0 C-N-CA 123.643 0.777 . . . . 74.44 111.465 178.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -57.08 -27.66 61.93 Favored 'General case' 0 CA--C 1.553 1.067 0 C-N-CA 123.837 0.855 . . . . 61.45 111.011 173.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . 0.41 HD22 ' HA ' ' X' ' 331' ' ' CYS . 1.5 m-20 -64.84 -45.24 86.95 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.181 0.992 . . . . 62.33 110.195 176.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . 0.51 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 9.9 m-85 -81.49 -14.85 56.49 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 115.628 -0.714 . . . . 64.41 111.581 -178.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -74.55 156.32 36.95 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.215 0.606 . . . . 61.52 110.411 171.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 82.5 mtm180 -66.29 127.2 31.31 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.402 0.681 . . . . 72.25 110.784 -178.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 110.05 -21.58 24.62 Favored Glycine 0 N--CA 1.472 1.089 0 N-CA-C 110.831 -0.907 . . . . 31.14 110.831 -167.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.38 168.93 31.26 Favored Glycine 0 C--N 1.343 0.97 0 N-CA-C 111.67 -0.572 . . . . 73.31 111.67 169.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . 0.532 HG23 ' H ' ' X' ' 330' ' ' PHE . 10.2 t -84.18 -14.33 50.42 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.451 0.7 . . . . 74.45 111.359 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . 0.51 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 89.28 -0.56 81.38 Favored Glycine 0 C--N 1.348 1.222 0 CA-C-N 116.34 -0.391 . . . . 42.43 113.356 179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . 0.532 ' H ' HG23 ' X' ' 328' ' ' THR . 81.8 t80 -113.71 129.01 56.64 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.551 1.141 . . . . 71.43 109.774 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . 0.41 ' HA ' HD22 ' X' ' 322' ' ' ASN . 90.0 m -89.44 133.21 35.12 Favored Pre-proline 0 CA--C 1.548 0.878 0 C-N-CA 123.189 0.596 . . . . 52.24 109.477 169.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -61.02 -27.5 84.78 Favored 'Trans proline' 0 C--N 1.378 2.128 0 C-N-CA 122.569 2.18 . . . . 65.51 112.122 175.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -79.72 -30.5 40.93 Favored 'General case' 0 CA--C 1.547 0.837 0 CA-C-N 114.869 -1.06 . . . . 63.51 110.864 176.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 65.55 -112.65 5.14 Favored Glycine 0 C--N 1.356 1.644 0 O-C-N 123.422 0.451 . . . . 74.52 113.11 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 52.8 tp -69.72 -32.07 70.43 Favored 'General case' 0 N--CA 1.483 1.222 0 C-N-CA 123.532 0.733 . . . . 75.42 110.164 176.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -77.1 -1.77 30.8 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.761 0.824 . . . . 71.53 111.666 -177.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . 0.538 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 49.5 t -68.16 119.68 13.13 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.755 0.822 . . . . 74.14 110.782 176.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -69.44 -31.46 69.79 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.815 0.846 . . . . 62.13 109.932 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.538 ' HB2' ' SG ' ' X' ' 337' ' ' CYS . 79.7 m-85 -67.31 126.62 29.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.71 -0.677 . . . . 62.15 110.187 177.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.431 ' H ' ' HG3' ' X' ' 318' ' ' LYS . 84.4 t -67.91 130.25 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.603 0 C-N-CA 124.89 1.276 . . . . 64.22 111.315 -176.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.677 ' HB2' ' HB3' ' X' ' 344' ' ' ASP . 20.5 m170 -89.6 118.89 69.43 Favored Pre-proline 0 CA--C 1.548 0.866 0 N-CA-C 108.859 -0.793 . . . . 64.31 108.859 176.31 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 49.4 Cg_endo -65.21 -18.24 60.57 Favored 'Trans proline' 0 C--N 1.372 1.768 0 C-N-CA 123.343 2.695 . . . . 53.25 113.486 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 13.8 t -99.96 1.13 42.34 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 123.922 0.889 . . . . 63.11 110.942 -178.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . 0.677 ' HB3' ' HB2' ' X' ' 341' ' ' HIS . 28.8 t70 -124.64 161.1 26.99 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.446 0.699 . . . . 71.23 110.831 -173.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.64 133.7 50.78 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.96 0.904 . . . . 71.32 111.26 -178.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 . . . . . 0 C--O 1.25 1.118 0 C-N-CA 123.845 0.858 . . . . 74.32 109.002 176.258 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.361 -0.237 . . . . 74.42 110.361 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 19.4 m120 -141.37 164.25 30.76 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.077 0.951 . . . . 42.34 109.067 171.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 60.6 mttp 59.21 26.19 14.92 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 124.352 1.061 . . . . 73.52 112.457 175.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -64.72 -34.03 77.36 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 123.648 0.779 . . . . 72.11 112.275 -174.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -70.41 -42.27 71.85 Favored 'General case' 0 N--CA 1.483 1.191 0 C-N-CA 122.859 0.464 . . . . 43.02 110.996 176.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . 0.531 ' HA ' ' HB ' ' X' ' 340' ' ' VAL . 59.5 p -71.42 87.89 0.88 Allowed 'General case' 0 C--N 1.351 0.671 0 CA-C-O 121.616 0.722 . . . . 53.43 110.706 -176.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 96.4 mttt -112.66 96.44 5.98 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 107.588 -1.264 . . . . 74.12 107.588 176.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.4 tt -56.42 118.06 4.42 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.898 0.879 . . . . 64.21 110.013 -179.014 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.526 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 86.9 m -63.15 124.61 21.62 Favored 'General case' 0 C--N 1.35 0.603 0 C-N-CA 122.953 0.501 . . . . 74.44 111.531 179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -59.08 -28.64 66.68 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.797 0.839 . . . . 61.45 111.189 172.44 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -68.26 -42.0 80.24 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.542 0.737 . . . . 62.33 110.152 174.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . 0.49 ' HB2' ' HB2' ' X' ' 320' ' ' CYS . 11.1 m-85 -90.2 2.81 54.98 Favored 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 123.534 0.733 . . . . 64.41 111.948 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -77.58 159.78 29.02 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.266 0.626 . . . . 61.52 110.221 174.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -66.27 109.8 2.8 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 109.411 -0.589 . . . . 72.25 109.411 177.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.85 14.45 17.3 Favored Glycine 0 CA--C 1.531 1.069 0 CA-C-N 115.776 -0.647 . . . . 31.14 112.224 -174.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -99.36 -178.35 31.38 Favored Glycine 0 C--N 1.355 1.601 0 CA-C-N 116.98 0.39 . . . . 73.31 112.41 176.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 32.3 p -71.09 -39.97 71.8 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.391 0.676 . . . . 74.45 110.375 174.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 98.7 -8.18 61.58 Favored Glycine 0 C--N 1.34 0.77 0 CA-C-N 114.483 -1.235 . . . . 42.43 112.341 -177.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -114.54 119.62 37.44 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.4 0.68 . . . . 71.43 110.213 178.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 68.6 m -77.53 124.0 86.72 Favored Pre-proline 0 CA--C 1.553 1.094 0 N-CA-C 109.338 -0.616 . . . . 52.24 109.338 167.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 31.2 Cg_exo -62.05 -23.82 76.05 Favored 'Trans proline' 0 C--N 1.375 1.97 0 C-N-CA 122.576 2.184 . . . . 65.51 113.095 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -68.32 -21.01 64.78 Favored 'General case' 0 CA--C 1.548 0.891 0 C-N-CA 124.16 0.984 . . . . 63.51 111.158 175.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.08 -127.48 11.04 Favored Glycine 0 C--N 1.347 1.189 0 CA-C-N 116.215 -0.448 . . . . 74.52 112.454 177.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.2 tp -72.94 -26.56 61.43 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.305 0.642 . . . . 75.42 110.449 176.354 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 4.2 mpt_? -77.91 4.23 12.54 Favored 'General case' 0 N--CA 1.484 1.235 0 C-N-CA 123.83 0.852 . . . . 71.53 112.314 -177.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 41.4 t -65.02 116.45 6.45 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 120.77 0.319 . . . . 74.14 110.832 174.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -76.11 -34.18 59.47 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 123.47 0.708 . . . . 62.13 111.085 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.526 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 78.3 m-85 -60.19 109.57 1.01 Allowed 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.151 -0.931 . . . . 62.15 109.517 -177.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.531 ' HB ' ' HA ' ' X' ' 317' ' ' THR . 89.6 t -64.76 118.78 7.63 Favored 'Isoleucine or valine' 0 C--N 1.351 0.65 0 O-C-N 123.853 0.72 . . . . 64.22 110.528 -174.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.506 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.8 m170 -68.24 148.19 98.27 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 114.824 -1.08 . . . . 64.31 109.906 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.72 -27.81 85.82 Favored 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.484 2.123 . . . . 53.25 112.594 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 9.0 t -86.78 -17.01 34.58 Favored 'General case' 0 CA--C 1.554 1.102 0 C-N-CA 123.988 0.915 . . . . 63.11 111.412 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -87.6 149.55 24.24 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 123.633 0.773 . . . . 71.23 111.623 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.94 -0.4 0.61 Allowed 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.226 -0.897 . . . . 71.32 111.062 -178.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 . . . . . 0 CA--C 1.557 1.232 0 CA-C-O 117.485 -1.245 . . . . 74.32 110.215 -173.369 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 N--CA 1.483 1.188 0 N-CA-C 110.021 -0.363 . . . . 74.42 110.021 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -69.26 -40.09 78.04 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 123.271 0.628 . . . . 42.34 109.825 175.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 8.0 mtpm? -89.91 35.43 0.84 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.139 0.976 . . . . 73.52 110.882 176.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -50.59 -46.37 57.83 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.72 1.208 . . . . 72.11 113.06 -172.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . 0.628 ' HD3' ' H ' ' X' ' 316' ' ' LYS . 0.2 OUTLIER -70.39 -47.58 60.2 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.905 -0.589 . . . . 43.02 110.697 -179.218 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . 0.436 HG23 ' HG2' ' X' ' 316' ' ' LYS . 32.2 p -79.52 87.86 5.1 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.518 0.727 . . . . 53.43 111.236 -173.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 58.1 mttp -103.98 111.89 24.64 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 123.54 0.736 . . . . 74.12 109.341 175.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 42.1 tp -59.16 125.04 21.99 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 122.748 0.419 . . . . 64.21 110.165 173.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 81.7 m -65.22 127.11 30.37 Favored 'General case' 0 C--O 1.239 0.541 0 O-C-N 123.891 0.744 . . . . 74.44 111.733 -178.749 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -65.37 -19.46 65.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 124.086 0.954 . . . . 61.45 110.634 170.362 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 6.6 m120 -69.31 -44.92 70.77 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.574 1.15 . . . . 62.33 109.414 175.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -81.86 -13.21 57.93 Favored 'General case' 0 N--CA 1.483 1.204 0 CA-C-N 114.919 -1.037 . . . . 64.41 111.25 -178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -71.71 120.43 17.3 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 109.252 -0.647 . . . . 61.52 109.252 174.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -64.74 146.5 54.69 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.447 0.699 . . . . 72.25 112.467 -171.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 107.35 4.18 35.2 Favored Glycine 0 C--N 1.342 0.88 0 CA-C-N 114.459 -1.246 . . . . 31.14 111.487 -165.692 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -134.51 -147.64 5.62 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 123.441 0.543 . . . . 73.31 112.071 179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 62.2 p -76.22 -37.16 58.09 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.456 0.702 . . . . 74.45 111.852 -177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 84.92 -7.38 74.9 Favored Glycine 0 CA--C 1.53 1.003 0 CA-C-N 115.587 -0.733 . . . . 42.43 111.899 -170.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 66.8 t80 -114.88 133.01 56.33 Favored 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.265 1.026 . . . . 71.43 110.376 -176.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 93.8 m -82.87 125.07 76.19 Favored Pre-proline 0 N--CA 1.469 0.52 0 N-CA-C 108.745 -0.835 . . . . 52.24 108.745 169.368 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -64.1 -22.43 67.58 Favored 'Trans proline' 0 C--N 1.376 1.993 0 C-N-CA 122.583 2.189 . . . . 65.51 112.335 -178.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . 0.425 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 58.1 m-85 -75.84 -27.74 57.98 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.892 0.877 . . . . 63.51 110.935 175.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 71.96 -117.94 6.69 Favored Glycine 0 C--N 1.343 0.941 0 CA-C-N 115.644 -0.707 . . . . 74.52 112.174 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.6 tp -72.61 -22.39 60.97 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.759 0.824 . . . . 75.42 110.424 176.206 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 92.3 mtt180 -88.43 19.74 3.69 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.855 0.862 . . . . 71.53 110.902 -177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . 0.425 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 46.7 t -65.42 135.01 54.7 Favored 'General case' 0 C--N 1.352 0.692 0 C-N-CA 123.96 0.904 . . . . 74.14 111.75 -174.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -66.04 -44.27 85.11 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.643 -0.708 . . . . 62.13 109.707 175.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.653 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 34.5 m-85 -85.5 139.6 31.34 Favored 'General case' 0 C--O 1.241 0.648 0 CA-C-N 115.185 -0.916 . . . . 62.15 110.039 -178.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 69.1 t -79.04 132.56 31.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 C-N-CA 123.486 0.714 . . . . 64.22 111.262 -178.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.626 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 22.0 m170 -81.71 134.87 49.82 Favored Pre-proline 0 N--CA 1.469 0.52 0 CA-C-N 115.397 -0.819 . . . . 64.31 108.99 177.731 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -64.63 -17.91 61.05 Favored 'Trans proline' 0 C--N 1.376 2.008 0 C-N-CA 122.654 2.236 . . . . 53.25 112.116 178.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 26.8 m -128.8 62.66 1.48 Allowed 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 107.576 -1.268 . . . . 63.11 107.576 171.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -67.29 90.81 0.23 Allowed 'General case' 0 N--CA 1.48 1.056 0 CA-C-N 115.142 -0.935 . . . . 71.23 110.546 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -137.32 150.24 47.62 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 124.052 0.941 . . . . 71.32 109.571 -177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 . . . . . 0 CA--C 1.546 0.821 0 N-CA-C 108.797 -0.816 . . . . 74.32 108.797 178.645 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.477 0.899 0 N-CA-C 109.295 -0.632 . . . . 74.42 109.295 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 64.1 t30 -83.86 71.62 10.45 Favored 'General case' 0 N--CA 1.481 1.087 0 CA-C-O 121.742 0.782 . . . . 42.34 109.631 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -118.92 25.39 10.24 Favored 'General case' 0 N--CA 1.481 1.093 0 CA-C-N 115.356 -0.838 . . . . 73.52 109.98 -179.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -71.18 -46.26 61.74 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 123.414 0.685 . . . . 72.11 109.771 -176.425 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.25 -23.61 51.23 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.688 -0.687 . . . . 43.02 110.136 177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . 0.827 ' HA ' ' HB ' ' X' ' 340' ' ' VAL . 24.9 m -76.56 81.68 3.23 Favored 'General case' 0 C--N 1.348 0.504 0 CA-C-O 121.503 0.668 . . . . 53.43 110.028 178.619 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.7 mptp? -83.58 104.51 13.77 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 106.054 -1.832 . . . . 74.12 106.054 165.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 38.1 tp -59.66 124.19 19.31 Favored 'General case' 0 C--O 1.241 0.639 0 O-C-N 123.874 0.734 . . . . 64.21 109.432 179.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 59.4 m -64.43 131.24 46.6 Favored 'General case' 0 CA--C 1.538 0.507 0 O-C-N 124.4 1.063 . . . . 74.44 109.92 176.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -62.41 -24.33 67.34 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.77 0.828 . . . . 61.45 110.792 177.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -68.57 -44.24 74.87 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.299 1.04 . . . . 62.33 110.046 173.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 -81.26 -6.05 58.45 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 124.03 0.932 . . . . 64.41 112.15 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -67.93 129.63 40.5 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 108.594 -0.891 . . . . 61.52 108.594 169.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 65.2 ttt-85 -57.2 127.61 32.86 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 123.9 0.75 . . . . 72.25 111.903 -166.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.19 1.46 58.19 Favored Glycine 0 C--N 1.346 1.135 0 CA-C-N 115.819 -0.628 . . . . 31.14 112.743 -175.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.51 -146.07 10.64 Favored Glycine 0 C--N 1.357 1.695 0 N-CA-C 112.169 -0.372 . . . . 73.31 112.169 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 67.3 p -84.48 -41.94 16.08 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.568 0.699 . . . . 74.45 109.685 174.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.39 -8.31 75.06 Favored Glycine 0 C--N 1.344 0.978 0 CA-C-N 114.987 -1.006 . . . . 42.43 113.102 -179.266 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 87.8 t80 -115.52 123.54 48.77 Favored 'General case' 0 C--N 1.346 0.449 0 C-N-CA 124.545 1.138 . . . . 71.43 108.871 176.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 72.9 m -79.69 130.32 68.0 Favored Pre-proline 0 CA--C 1.543 0.694 0 N-CA-C 109.031 -0.729 . . . . 52.24 109.031 168.105 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.65 -24.98 48.24 Favored 'Trans proline' 0 C--N 1.381 2.256 0 C-N-CA 122.999 2.466 . . . . 65.51 113.59 179.038 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 44.2 m-85 -70.95 -44.67 65.59 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.781 0.832 . . . . 63.51 110.032 176.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 90.55 -121.45 6.24 Favored Glycine 0 C--N 1.346 1.097 0 CA-C-N 115.763 -0.653 . . . . 74.52 111.972 -176.268 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 56.2 tp -74.96 -28.06 60.43 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.972 0.909 . . . . 75.42 110.946 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 14.3 ptt-85 -84.23 14.69 4.08 Favored 'General case' 0 N--CA 1.481 1.116 0 C-N-CA 123.384 0.674 . . . . 71.53 112.019 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.6 t -71.48 116.58 11.99 Favored 'General case' 0 C--O 1.24 0.579 0 N-CA-C 108.763 -0.829 . . . . 74.14 108.763 169.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -67.41 -34.14 76.63 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 123.731 0.644 . . . . 62.13 110.349 179.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.454 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 66.1 m-85 -64.68 104.78 0.86 Allowed 'General case' 0 C--N 1.353 0.72 0 O-C-N 124.2 0.937 . . . . 62.15 108.537 177.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.827 ' HB ' ' HA ' ' X' ' 317' ' ' THR . 96.3 t -66.95 128.16 29.69 Favored 'Isoleucine or valine' 0 C--O 1.239 0.505 0 CA-C-N 115.189 -0.914 . . . . 64.22 110.745 -172.082 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.442 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 24.5 m170 -80.75 150.14 68.91 Favored Pre-proline 0 CA--C 1.542 0.652 0 CA-C-N 114.633 -1.167 . . . . 64.31 109.999 -174.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -77.12 -2.18 12.39 Favored 'Trans proline' 0 C--N 1.373 1.841 0 C-N-CA 122.716 2.277 . . . . 53.25 112.809 -174.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 24.6 p -93.81 32.21 1.48 Allowed 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.754 1.222 . . . . 63.11 110.941 178.522 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.96 118.35 6.15 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.333 1.053 . . . . 71.23 110.483 175.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -134.34 174.8 10.12 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 124.119 0.968 . . . . 71.32 109.212 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 . . . . . 0 CA--C 1.554 1.119 0 CA-C-O 118.971 -0.538 . . . . 74.32 110.272 174.483 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 33.5 t30 . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 110.223 -0.288 . . . . 74.42 110.223 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . 0.631 HD21 ' HD2' ' X' ' 316' ' ' LYS . 37.6 t30 63.35 99.47 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 125.23 1.412 . . . . 42.34 112.433 173.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.02 -5.17 5.61 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.59 0.756 . . . . 73.52 110.577 167.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . 0.419 ' O ' ' HG3' ' X' ' 318' ' ' LYS . 13.5 p90 -68.36 -21.5 64.72 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 122.726 0.41 . . . . 72.11 110.671 -174.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . 0.631 ' HD2' HD21 ' X' ' 313' ' ' ASN . 91.5 mttt -74.03 20.24 0.11 Allowed 'General case' 0 CA--C 1.551 1.012 0 N-CA-C 113.391 0.886 . . . . 43.02 113.391 -176.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 35.0 p -94.43 33.72 1.38 Allowed 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.257 0.623 . . . . 53.43 110.211 166.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . 0.738 ' HB2' ' H ' ' X' ' 340' ' ' VAL . 26.2 mtpp -77.15 62.84 2.3 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 108.806 -0.812 . . . . 74.12 108.806 172.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 8.8 tt -62.99 113.55 3.16 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.399 0.679 . . . . 64.21 110.161 -169.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.546 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 58.1 m -63.16 131.82 49.76 Favored 'General case' 0 C--O 1.237 0.432 0 O-C-N 124.317 1.01 . . . . 74.44 110.955 177.578 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -58.09 -27.66 63.89 Favored 'General case' 0 N--CA 1.479 0.997 0 O-C-N 124.286 0.991 . . . . 61.45 111.091 176.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -67.42 -44.55 78.49 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.255 0.622 . . . . 62.33 110.298 176.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . 0.477 ' HA ' ' HA2' ' X' ' 329' ' ' GLY . 23.5 m-85 -81.44 -4.58 56.25 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.815 0.846 . . . . 64.41 111.616 179.614 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.89 148.92 43.92 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.839 -0.43 . . . . 61.52 109.839 172.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 27.0 ptt180 -61.54 125.29 23.26 Favored 'General case' 0 CA--C 1.547 0.846 0 O-C-N 123.879 0.737 . . . . 72.25 110.976 -179.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.38 -9.26 49.2 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 115.765 -0.652 . . . . 31.14 112.26 -172.194 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -92.76 -173.0 41.06 Favored Glycine 0 C--N 1.345 1.053 0 C-N-CA 123.314 0.483 . . . . 73.31 112.106 174.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 76.5 p -76.21 -33.81 59.25 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.968 0.507 . . . . 74.45 110.622 177.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' X' ' 323' ' ' PHE . . . 91.34 -1.16 76.07 Favored Glycine 0 C--N 1.34 0.805 0 CA-C-N 114.975 -1.011 . . . . 42.43 112.168 -173.286 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -116.08 122.55 45.48 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.333 1.053 . . . . 71.43 110.901 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 95.2 m -81.79 141.48 47.91 Favored Pre-proline 0 CA--C 1.546 0.826 0 C-N-CA 123.15 0.58 . . . . 52.24 109.505 168.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 37.5 Cg_exo -61.03 -33.56 91.72 Favored 'Trans proline' 0 C--N 1.377 2.045 0 C-N-CA 122.878 2.385 . . . . 65.51 112.629 -178.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -82.24 -18.33 42.89 Favored 'General case' 0 CA--C 1.544 0.718 0 CA-C-N 115.633 -0.712 . . . . 63.51 111.383 -179.061 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 72.48 -123.25 9.02 Favored Glycine 0 C--N 1.355 1.606 0 CA-C-O 119.728 -0.485 . . . . 74.52 111.905 -177.159 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.5 tp -73.8 -19.35 60.79 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.104 0.562 . . . . 75.42 110.891 176.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 39.1 mmt180 -72.66 -14.02 61.49 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 122.811 0.445 . . . . 71.53 111.958 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 37.6 t -58.83 119.71 7.66 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.84 0.856 . . . . 74.14 110.749 176.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -63.27 -36.1 82.55 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.38 0.672 . . . . 62.13 110.663 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.497 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 47.3 m-85 -69.87 121.59 17.6 Favored 'General case' 0 C--O 1.246 0.893 0 CA-C-N 115.511 -0.768 . . . . 62.15 109.166 177.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.738 ' H ' ' HB2' ' X' ' 318' ' ' LYS . 25.8 t -80.31 136.5 23.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.423 0 C-N-CA 123.554 0.741 . . . . 64.22 110.633 -172.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.546 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.4 m170 -86.78 132.34 42.54 Favored Pre-proline 0 C--O 1.239 0.509 0 CA-C-N 115.063 -0.971 . . . . 64.31 110.462 -169.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 20.4 Cg_endo -57.29 -30.61 88.21 Favored 'Trans proline' 0 C--N 1.384 2.415 0 C-N-CA 123.141 2.561 . . . . 53.25 110.812 174.779 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 10.7 m -82.47 75.39 9.38 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-N 114.782 -1.099 . . . . 63.11 108.302 166.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -83.22 98.72 9.53 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-N 115.637 -0.71 . . . . 71.23 109.602 -177.173 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -86.98 124.67 33.43 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 123.196 0.598 . . . . 71.32 110.122 -176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 . . . . . 0 CA--C 1.553 1.066 0 N-CA-C 107.589 -1.263 . . . . 74.32 107.589 -176.871 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 8.1 p30 . . . . . 0 N--CA 1.483 1.197 0 CA-C-O 120.347 0.118 . . . . 74.42 111.145 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -92.39 113.79 26.15 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.373 0.669 . . . . 42.34 110.732 -171.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . 0.457 ' HB3' ' HB ' ' X' ' 317' ' ' THR . 0.0 OUTLIER -109.6 51.9 0.74 Allowed 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.944 0.897 . . . . 73.52 108.772 170.763 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 8.5 p90 -58.2 -54.71 43.87 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 114.374 -1.285 . . . . 72.11 111.928 -177.463 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . 0.535 ' HA ' ' HE3' ' X' ' 316' ' ' LYS . 0.1 OUTLIER -87.78 -13.96 40.89 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 122.768 0.427 . . . . 43.02 110.58 -178.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . 0.457 ' HB ' ' HB3' ' X' ' 314' ' ' LYS . 5.4 m -92.94 46.79 1.24 Allowed 'General case' 0 CA--C 1.558 1.262 0 N-CA-C 108.909 -0.775 . . . . 53.43 108.909 175.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 85.2 tttt -84.52 73.82 10.48 Favored 'General case' 0 C--N 1.353 0.72 0 N-CA-C 108.399 -0.963 . . . . 74.12 108.399 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . 0.401 HD23 ' O ' ' X' ' 320' ' ' CYS . 7.7 tt -70.13 129.38 39.25 Favored 'General case' 0 C--O 1.24 0.578 0 CA-C-N 114.297 -1.32 . . . . 64.21 109.748 -172.155 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 36.2 m -58.82 125.85 25.21 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.73 0.812 . . . . 74.44 110.812 179.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -62.06 -22.33 65.67 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.158 0.583 . . . . 61.45 110.105 174.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -63.03 -42.92 99.9 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.397 1.079 . . . . 62.33 110.213 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -84.98 -17.68 36.87 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 123.948 0.899 . . . . 64.41 111.335 178.36 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -76.65 144.26 39.59 Favored 'General case' 0 C--O 1.241 0.624 0 N-CA-C 109.062 -0.718 . . . . 61.52 109.062 172.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -62.56 141.29 58.52 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.649 0.78 . . . . 72.25 111.184 -174.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 100.56 -19.81 50.93 Favored Glycine 0 CA--C 1.527 0.84 0 N-CA-C 110.886 -0.886 . . . . 31.14 110.886 -163.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.25 -172.08 44.47 Favored Glycine 0 C--N 1.359 1.829 0 C-N-CA 123.544 0.592 . . . . 73.31 111.75 173.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 71.6 p -94.42 -11.39 29.91 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.368 0.667 . . . . 74.45 111.851 -178.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 85.08 -8.63 69.53 Favored Glycine 0 C--N 1.347 1.16 0 CA-C-N 115.726 -0.67 . . . . 42.43 113.304 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -116.13 134.68 54.67 Favored 'General case' 0 C--O 1.239 0.521 0 C-N-CA 124.322 1.049 . . . . 71.43 109.445 176.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 71.7 m -86.19 136.35 35.93 Favored Pre-proline 0 N--CA 1.472 0.632 0 CA-C-O 118.161 -0.924 . . . . 52.24 109.108 168.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -60.12 -23.12 72.52 Favored 'Trans proline' 0 C--N 1.378 2.118 0 C-N-CA 122.95 2.434 . . . . 65.51 113.273 -174.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -90.43 -17.85 26.46 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.059 0.944 . . . . 63.51 111.591 -178.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 74.21 -119.23 6.2 Favored Glycine 0 C--N 1.346 1.116 0 CA-C-O 119.713 -0.493 . . . . 74.52 112.184 -179.234 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.0 tp -74.14 -25.0 59.5 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.14 0.576 . . . . 75.42 110.52 176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 23.9 mmt180 -72.55 -10.63 60.02 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.077 0.551 . . . . 71.53 112.466 179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 40.7 t -58.35 118.36 5.45 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.293 0.637 . . . . 74.14 111.088 -179.546 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -71.97 -25.14 61.74 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 124.282 0.989 . . . . 62.13 111.241 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.409 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 65.0 m-85 -73.35 131.28 41.7 Favored 'General case' 0 C--O 1.245 0.831 0 N-CA-C 107.749 -1.204 . . . . 62.15 107.749 169.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.41 HG11 ' O ' ' X' ' 316' ' ' LYS . 14.9 p -79.55 143.24 12.83 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.559 0 CA-C-O 121.198 0.523 . . . . 64.22 110.785 -175.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.571 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 19.7 m170 -89.03 140.52 29.07 Favored Pre-proline 0 CA--C 1.544 0.736 0 CA-C-N 115.281 -0.872 . . . . 64.31 108.784 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -54.18 -38.22 87.82 Favored 'Trans proline' 0 C--N 1.382 2.325 0 C-N-CA 123.589 2.859 . . . . 53.25 112.267 -176.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 93.9 m -119.87 91.57 3.58 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 107.163 -1.421 . . . . 63.11 107.163 164.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -101.59 152.37 20.88 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 116.026 -0.534 . . . . 71.23 110.486 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 17.2 pttp -165.65 -177.43 4.36 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 124.75 1.22 . . . . 71.32 107.786 170.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 . . . . . 0 C--O 1.25 1.085 0 N-CA-C 107.176 -1.416 . . . . 74.32 107.176 163.116 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 37.8 p30 . . . . . 0 N--CA 1.48 1.051 0 N-CA-C 110.586 -0.153 . . . . 74.42 110.586 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -127.08 157.6 39.23 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 123.532 0.733 . . . . 42.34 110.508 177.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . 0.482 ' HA ' ' OG1' ' X' ' 317' ' ' THR . 95.0 mttt -89.28 53.87 2.77 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 123.731 0.812 . . . . 73.52 112.375 -170.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 67.6 m-85 -111.41 -52.79 2.76 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 108.394 -0.965 . . . . 72.11 108.394 170.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . 0.588 ' HA ' HG11 ' X' ' 340' ' ' VAL . 21.3 pttm -93.75 23.15 4.94 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 115.786 -0.643 . . . . 43.02 111.939 175.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . 0.482 ' OG1' ' HA ' ' X' ' 314' ' ' LYS . 60.8 p -110.31 2.75 19.34 Favored 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 123.038 0.535 . . . . 53.43 110.915 169.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -78.47 72.08 4.97 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 123.602 0.761 . . . . 74.12 110.711 -177.26 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -59.63 141.16 55.59 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 124.142 0.977 . . . . 64.21 112.058 -175.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.467 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 98.9 m -80.32 133.36 35.94 Favored 'General case' 0 C--O 1.237 0.411 0 CA-C-N 116.02 -0.536 . . . . 74.44 111.274 177.432 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -63.6 -26.54 68.73 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 114.479 -1.237 . . . . 61.45 110.783 173.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -65.35 -40.51 93.7 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 123.727 0.811 . . . . 62.33 109.558 174.442 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -88.15 5.49 41.07 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 124.296 1.038 . . . . 64.41 111.804 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -87.78 157.09 19.12 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.699 0.8 . . . . 61.52 109.603 171.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -66.51 121.34 15.11 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 122.508 0.323 . . . . 72.25 110.434 -177.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.87 -15.59 26.15 Favored Glycine 0 C--N 1.341 0.853 0 CA-C-N 116.108 -0.496 . . . . 31.14 111.989 -170.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -87.1 -177.39 48.97 Favored Glycine 0 C--N 1.349 1.302 0 N-CA-C 111.941 -0.464 . . . . 73.31 111.941 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 3.8 m -89.56 -12.02 41.07 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.387 0.675 . . . . 74.45 111.352 -176.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.53 -9.03 59.99 Favored Glycine 0 C--N 1.348 1.219 0 CA-C-N 115.351 -0.841 . . . . 42.43 113.944 178.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -118.2 139.19 51.66 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.125 0.97 . . . . 71.43 109.668 173.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 86.5 m -92.04 134.77 28.1 Favored Pre-proline 0 CA--C 1.544 0.723 0 N-CA-C 108.601 -0.888 . . . . 52.24 108.601 167.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_endo -57.34 -24.76 61.93 Favored 'Trans proline' 0 C--N 1.374 1.896 0 C-N-CA 123.496 2.797 . . . . 65.51 114.617 -171.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -88.34 -8.58 54.88 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.655 0.782 . . . . 63.51 112.086 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 73.45 -127.53 10.75 Favored Glycine 0 C--N 1.341 0.817 0 N-CA-C 111.741 -0.543 . . . . 74.52 111.741 -174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 27.4 tp -75.35 -19.37 59.63 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.62 0.768 . . . . 75.42 110.464 177.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 40.3 mtm180 -75.39 1.22 14.46 Favored 'General case' 0 N--CA 1.487 1.425 0 C-N-CA 124.017 0.927 . . . . 71.53 112.307 177.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 27.1 t -61.87 140.62 58.27 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.504 0.721 . . . . 74.14 111.875 177.102 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -56.77 -53.54 56.66 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.833 1.253 . . . . 62.13 111.12 -179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.441 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 85.6 m-85 -84.56 140.19 31.58 Favored 'General case' 0 C--O 1.247 0.953 0 CA-C-N 114.911 -1.04 . . . . 62.15 109.998 -178.439 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.588 HG11 ' HA ' ' X' ' 316' ' ' LYS . 7.6 p -78.04 141.79 15.02 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.71 0 C-N-CA 123.679 0.791 . . . . 64.22 110.328 -178.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.467 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 11.0 m80 -92.7 151.5 41.04 Favored Pre-proline 0 CA--C 1.543 0.687 0 C-N-CA 123.478 0.711 . . . . 64.31 110.195 -175.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -60.07 -19.45 56.25 Favored 'Trans proline' 0 C--N 1.369 1.629 0 C-N-CA 122.78 2.32 . . . . 53.25 113.073 169.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 65.8 p -73.96 -26.16 60.33 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 123.439 0.696 . . . . 63.11 111.246 174.252 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -79.3 136.34 37.0 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.664 0.786 . . . . 71.23 109.778 179.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -148.71 17.0 1.0 Allowed 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 124.183 0.993 . . . . 71.32 108.368 175.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 . . . . . 0 CA--C 1.554 1.115 0 C-N-CA 124.783 1.233 . . . . 74.32 110.161 -174.938 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 110.101 -0.333 . . . . 74.42 110.101 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -149.51 174.84 12.06 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.751 0.82 . . . . 42.34 109.386 175.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . 0.434 ' HE2' ' HA ' ' X' ' 314' ' ' LYS . 0.2 OUTLIER -141.85 18.79 2.15 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.388 0.675 . . . . 73.52 111.005 176.652 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -58.78 -33.29 70.15 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.563 0.745 . . . . 72.11 111.892 177.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . 0.748 ' HA ' HG11 ' X' ' 340' ' ' VAL . 0.0 OUTLIER -85.7 91.47 8.31 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-O 121.339 0.59 . . . . 43.02 109.599 176.858 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . 0.528 HG23 ' HG3' ' X' ' 318' ' ' LYS . 10.2 t -117.12 -37.91 3.47 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.474 -0.785 . . . . 53.43 110.452 178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . 0.528 ' HG3' HG23 ' X' ' 317' ' ' THR . 0.0 OUTLIER -163.18 149.33 12.05 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.98 0.512 . . . . 74.12 111.436 178.667 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -72.73 155.25 40.17 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 115.879 -0.6 . . . . 64.21 110.556 175.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.507 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 85.3 m -60.74 145.43 49.56 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.234 0.613 . . . . 74.44 112.107 176.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.6 ptpt -65.16 -26.33 68.12 Favored 'General case' 0 CA--C 1.547 0.858 0 CA-C-N 115.769 -0.651 . . . . 61.45 110.498 171.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -62.16 -43.87 97.87 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.15 0.98 . . . . 62.33 109.993 173.272 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . 0.527 ' HE1' ' SG ' ' X' ' 331' ' ' CYS . 10.2 m-85 -90.82 6.38 44.55 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.409 1.084 . . . . 64.41 111.735 -175.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -68.95 158.95 33.62 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.277 0.631 . . . . 61.52 110.711 176.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -69.67 112.91 6.46 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.052 0.541 . . . . 72.25 110.578 -176.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 104.32 -0.24 43.7 Favored Glycine 0 C--N 1.346 1.107 0 N-CA-C 111.613 -0.595 . . . . 31.14 111.613 -172.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -84.03 -179.01 51.78 Favored Glycine 0 C--N 1.35 1.311 0 C-N-CA 123.27 0.462 . . . . 73.31 112.453 175.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 40.6 p -80.33 -35.23 35.93 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 123.678 0.791 . . . . 74.45 110.565 176.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 92.95 0.41 68.52 Favored Glycine 0 C--N 1.342 0.894 0 CA-C-N 114.588 -1.187 . . . . 42.43 112.742 -178.196 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -110.89 119.11 38.01 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.745 0.818 . . . . 71.43 110.605 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . 0.527 ' SG ' ' HE1' ' X' ' 323' ' ' PHE . 65.3 m -82.08 137.93 46.13 Favored Pre-proline 0 CA--C 1.549 0.925 0 C-N-CA 123.431 0.692 . . . . 52.24 109.971 168.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.57 -27.81 53.44 Favored 'Trans proline' 0 C--N 1.381 2.257 0 C-N-CA 123.1 2.533 . . . . 65.51 112.299 179.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -83.77 -17.67 40.35 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.557 0.743 . . . . 63.51 110.383 178.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 75.76 -131.51 12.06 Favored Glycine 0 C--N 1.35 1.353 0 CA-C-N 116.087 -0.506 . . . . 74.52 112.647 -175.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 46.9 tp -72.94 -24.64 60.83 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 123.494 0.718 . . . . 75.42 110.256 177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 69.5 mtp180 -72.06 -5.15 33.15 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.203 0.601 . . . . 71.53 112.059 176.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . 0.421 ' SG ' ' HB2' ' X' ' 339' ' ' PHE . 10.7 t -60.41 119.4 7.91 Favored 'General case' 0 C--O 1.237 0.406 0 C-N-CA 122.534 0.334 . . . . 74.14 110.972 173.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -66.06 -29.46 69.81 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 115.284 -0.871 . . . . 62.13 111.201 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.427 ' HD1' ' HE3' ' X' ' 318' ' ' LYS . 60.1 m-85 -69.05 115.14 8.0 Favored 'General case' 0 C--O 1.242 0.708 0 N-CA-C 107.626 -1.25 . . . . 62.15 107.626 174.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.748 HG11 ' HA ' ' X' ' 316' ' ' LYS . 11.3 p -66.53 138.9 22.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.752 0 CA-C-O 121.512 0.673 . . . . 64.22 110.746 -172.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.507 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.5 m80 -90.35 150.58 43.22 Favored Pre-proline 0 CA--C 1.544 0.74 0 CA-C-N 114.573 -1.194 . . . . 64.31 109.424 -178.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 7.8 Cg_exo -68.5 -4.22 12.58 Favored 'Trans proline' 0 C--N 1.376 2.009 0 C-N-CA 122.567 2.178 . . . . 53.25 112.856 177.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 20.7 p -82.14 -3.42 54.82 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 124.239 1.015 . . . . 63.11 112.068 174.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -62.58 133.72 55.32 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.575 0.75 . . . . 71.23 111.826 -178.102 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -123.86 18.45 9.38 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 125.195 1.398 . . . . 71.32 110.396 178.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.553 1.083 0 CA-C-O 118.948 -0.548 . . . . 74.32 110.396 -176.435 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 N--CA 1.477 0.91 0 N-CA-C 108.231 -1.026 . . . . 74.42 108.231 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -75.48 81.7 2.52 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.784 0.833 . . . . 42.34 109.798 -176.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 67.9 mttm -143.04 139.32 30.49 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.685 0.794 . . . . 73.52 110.759 -176.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -116.83 -15.1 10.71 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 125.073 1.349 . . . . 72.11 110.023 172.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 4.6 tppp? -55.84 -61.49 2.33 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.805 1.242 . . . . 43.02 112.614 -170.766 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . 0.42 ' HA ' HG21 ' X' ' 340' ' ' VAL . 40.7 p -67.56 92.95 0.33 Allowed 'General case' 0 N--CA 1.478 0.943 0 CA-C-O 121.793 0.806 . . . . 53.43 111.779 -174.866 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . 0.54 ' H ' ' HB ' ' X' ' 340' ' ' VAL . 23.1 tptm -150.23 114.13 5.06 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 124.374 1.07 . . . . 74.12 108.144 177.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 7.8 tt -58.6 121.11 10.18 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.783 1.233 . . . . 64.21 110.21 -177.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.479 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 86.7 m -59.48 128.07 35.22 Favored 'General case' 0 C--N 1.352 0.711 0 O-C-N 124.084 0.865 . . . . 74.44 111.347 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.26 -26.6 41.01 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 123.879 0.871 . . . . 61.45 111.396 174.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . 0.573 ' ND2' ' HD3' ' X' ' 332' ' ' PRO . 9.6 m120 -63.68 -46.11 87.02 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.74 1.216 . . . . 62.33 110.389 177.485 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -87.06 -9.96 54.16 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 115.256 -0.884 . . . . 64.41 111.628 -178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -72.95 146.47 46.04 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.187 0.595 . . . . 61.52 109.921 170.501 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 34.2 mmt180 -63.08 120.74 12.02 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.888 0.475 . . . . 72.25 110.715 -179.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 111.18 -9.8 29.05 Favored Glycine 0 N--CA 1.471 0.967 0 CA-C-N 115.914 -0.585 . . . . 31.14 112.077 -169.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -89.75 173.08 39.66 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 123.511 0.577 . . . . 73.31 112.417 177.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 41.0 p -70.97 -18.4 62.62 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 124.066 0.946 . . . . 74.45 112.14 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.77 -11.98 50.32 Favored Glycine 0 C--N 1.342 0.906 0 C-N-CA 124.679 1.133 . . . . 42.43 112.759 -174.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -116.03 125.74 52.87 Favored 'General case' 0 C--O 1.238 0.463 0 C-N-CA 124.506 1.122 . . . . 71.43 109.628 178.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 87.5 m -69.85 126.05 92.29 Favored Pre-proline 0 CA--C 1.547 0.854 0 N-CA-C 108.313 -0.995 . . . . 52.24 108.313 162.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . 0.573 ' HD3' ' ND2' ' X' ' 322' ' ' ASN . 31.3 Cg_exo -60.87 -23.77 77.66 Favored 'Trans proline' 0 C--N 1.372 1.78 0 C-N-CA 122.862 2.375 . . . . 65.51 112.096 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 72.5 m-85 -84.42 -22.13 30.52 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 114.602 -1.181 . . . . 63.51 110.905 179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 63.85 -107.87 1.97 Allowed Glycine 0 C--N 1.352 1.447 0 O-C-N 123.404 0.44 . . . . 74.52 113.813 175.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 39.5 tp -72.56 -34.73 67.68 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.236 0.614 . . . . 75.42 109.742 175.137 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 35.3 mmt180 -77.78 9.62 3.36 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.498 1.119 . . . . 71.53 112.238 -177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 49.7 t -64.92 142.63 58.37 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.628 0.771 . . . . 74.14 110.861 178.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -102.18 -29.52 11.67 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.774 0.83 . . . . 62.13 110.632 178.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -82.06 142.77 32.04 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.498 0.719 . . . . 62.15 110.45 -179.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.605 HG13 ' HA ' ' X' ' 345' ' ' LYS . 2.6 t -72.84 138.3 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.925 0.89 . . . . 64.22 111.409 -177.413 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.692 ' HB2' ' HB3' ' X' ' 344' ' ' ASP . 19.8 m170 -90.02 146.38 34.97 Favored Pre-proline 0 CA--C 1.546 0.793 0 N-CA-C 108.587 -0.894 . . . . 64.31 108.587 174.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -60.98 -20.82 69.12 Favored 'Trans proline' 0 N--CA 1.492 1.394 0 C-N-CA 123.051 2.5 . . . . 53.25 112.978 -177.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 14.5 t -113.56 1.86 15.13 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 123.53 0.732 . . . . 63.11 111.684 -179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . 0.692 ' HB3' ' HB2' ' X' ' 341' ' ' HIS . 23.7 t70 -147.69 87.5 1.64 Allowed 'General case' 0 N--CA 1.472 0.657 0 N-CA-C 107.914 -1.143 . . . . 71.23 107.914 -174.614 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . 0.605 ' HA ' HG13 ' X' ' 340' ' ' VAL . 49.4 mtpt -80.92 -82.38 0.12 Allowed 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 115.272 -0.876 . . . . 71.32 110.393 -173.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 . . . . . 0 C--O 1.247 0.97 0 N-CA-C 108.894 -0.78 . . . . 74.32 108.894 -178.485 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 32.2 m-80 . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 109.37 -0.604 . . . . 74.42 109.37 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -82.25 -20.36 37.76 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.064 0.546 . . . . 42.34 110.367 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 46.4 mtmt 64.26 93.84 0.06 Allowed 'General case' 0 C--N 1.356 0.879 0 C-N-CA 124.994 1.317 . . . . 73.52 110.189 -175.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -147.11 -63.3 0.28 Allowed 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.446 0.698 . . . . 72.11 110.894 -170.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -103.43 13.26 33.97 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 123.422 0.689 . . . . 43.02 110.142 174.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 22.2 p -84.56 69.39 10.59 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.303 1.041 . . . . 53.43 111.481 -170.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -98.83 104.69 16.76 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 107.712 -1.218 . . . . 74.12 107.712 172.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 45.2 tp -59.88 129.66 42.95 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 122.79 0.436 . . . . 64.21 110.775 177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.545 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 73.6 m -64.74 121.83 15.46 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 123.287 0.635 . . . . 74.44 111.286 177.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -63.0 -26.54 68.9 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.454 1.102 . . . . 61.45 110.392 171.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -58.66 -45.79 88.6 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 123.72 0.808 . . . . 62.33 109.61 173.043 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 20.4 m-85 -90.03 6.84 40.58 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-N 114.862 -1.063 . . . . 64.41 112.268 -175.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -91.05 157.17 17.41 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.399 0.68 . . . . 61.52 109.515 171.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.19 124.83 21.26 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.678 0.791 . . . . 72.25 110.27 -176.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 106.05 -18.03 40.32 Favored Glycine 0 C--N 1.341 0.852 0 CA-C-N 115.968 -0.56 . . . . 31.14 112.467 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -81.03 175.44 54.79 Favored Glycine 0 C--N 1.35 1.311 0 O-C-N 123.673 0.278 . . . . 73.31 112.761 176.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . 0.458 HG23 ' H ' ' X' ' 330' ' ' PHE . 3.9 t -69.38 -26.87 64.87 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 123.924 0.89 . . . . 74.45 112.084 178.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 86.67 -7.61 78.81 Favored Glycine 0 N--CA 1.471 1.031 0 C-N-CA 123.291 0.472 . . . . 42.43 113.108 -177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . 0.458 ' H ' HG23 ' X' ' 328' ' ' THR . 47.1 m-85 -115.48 123.81 49.51 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.99 0.916 . . . . 71.43 110.431 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 73.6 m -80.48 121.35 81.35 Favored Pre-proline 0 CA--C 1.549 0.906 0 N-CA-C 109.475 -0.565 . . . . 52.24 109.475 170.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 46.2 Cg_endo -64.78 -20.57 64.91 Favored 'Trans proline' 0 C--N 1.374 1.919 0 C-N-CA 122.813 2.342 . . . . 65.51 112.944 -174.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -75.94 -24.54 55.49 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 123.997 0.919 . . . . 63.51 111.693 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 64.63 -110.37 3.43 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.572 0.545 . . . . 74.52 112.799 179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 51.3 tp -67.02 -33.17 74.97 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.833 0.853 . . . . 75.42 110.847 178.158 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 36.9 mmt180 -83.57 6.54 20.25 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.58 0.752 . . . . 71.53 112.281 -174.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 42.9 t -67.9 116.92 9.11 Favored 'General case' 0 C--N 1.356 0.85 0 CA-C-O 120.732 0.301 . . . . 74.14 110.711 -179.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -79.85 -28.25 40.08 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.711 1.204 . . . . 62.13 110.222 -179.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.44 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 65.1 m-85 -76.61 128.08 34.02 Favored 'General case' 0 C--O 1.244 0.777 0 CA-C-N 115.005 -0.998 . . . . 62.15 108.894 176.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 30.5 m -77.43 142.25 14.48 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.77 0 C-N-CA 123.197 0.599 . . . . 64.22 110.603 -178.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.545 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 17.3 m80 -91.23 144.81 30.4 Favored Pre-proline 0 N--CA 1.472 0.656 0 C-N-CA 123.965 0.906 . . . . 64.31 108.871 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 83.9 Cg_endo -75.47 -13.08 20.56 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 122.389 2.059 . . . . 53.25 111.495 -176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 32.4 p -91.04 -29.86 17.11 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.832 1.253 . . . . 63.11 110.185 176.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -91.65 -178.89 5.2 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.685 0.794 . . . . 71.23 110.32 174.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -141.31 156.69 45.82 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.896 0.479 . . . . 71.32 109.756 -175.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 . . . . . 0 C--O 1.246 0.869 0 C-N-CA 123.737 0.815 . . . . 74.32 109.097 -179.783 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 121.054 0.454 . . . . 74.42 109.805 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -107.62 110.64 22.57 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 116.113 -0.494 . . . . 42.34 110.114 -176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 21.8 tptm -113.89 16.73 18.3 Favored 'General case' 0 CA--C 1.552 1.05 0 N-CA-C 108.445 -0.946 . . . . 73.52 108.445 170.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 74.6 m-85 -79.1 -54.74 5.7 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 124.136 0.975 . . . . 72.11 110.833 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . 0.572 ' HB3' HG21 ' X' ' 340' ' ' VAL . 68.2 mttm -86.46 82.69 7.86 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.372 0.669 . . . . 43.02 109.227 178.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 15.5 p -134.83 12.4 3.67 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.721 0.809 . . . . 53.43 111.356 -178.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 56.2 mtmt -70.69 83.78 0.63 Allowed 'General case' 0 C--N 1.358 0.953 0 N-CA-C 108.032 -1.099 . . . . 74.12 108.032 169.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . 0.475 ' HB2' ' HD3' ' X' ' 342' ' ' PRO . 2.6 pt? -67.93 148.74 50.68 Favored 'General case' 0 C--O 1.237 0.443 0 CA-C-N 114.894 -1.048 . . . . 64.21 111.113 -173.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.571 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 70.0 m -72.49 126.53 30.07 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 115.423 -0.808 . . . . 74.44 109.961 176.222 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 20.2 ptmt -66.19 -21.04 66.3 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 123.751 0.657 . . . . 61.45 110.373 171.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -58.1 -47.27 83.75 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.574 1.15 . . . . 62.33 109.521 171.072 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -85.9 -22.18 27.6 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.178 0.991 . . . . 64.41 111.504 -177.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.93 147.27 53.63 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 122.624 0.37 . . . . 61.52 110.228 176.278 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -55.17 127.76 30.73 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 124.085 0.954 . . . . 72.25 112.256 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 105.42 -20.51 37.18 Favored Glycine 0 C--N 1.344 1.027 0 N-CA-C 112.07 -0.412 . . . . 31.14 112.07 -174.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -80.23 -179.49 52.64 Favored Glycine 0 C--N 1.346 1.114 0 N-CA-C 112.38 -0.288 . . . . 73.31 112.38 172.7 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . . . . . . . . . 45.7 p -74.26 -29.91 61.89 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 123.51 0.724 . . . . 74.45 111.068 179.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 97.45 -6.6 63.28 Favored Glycine 0 N--CA 1.469 0.879 0 CA-C-N 115.012 -0.994 . . . . 42.43 112.091 -176.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -115.46 131.27 56.98 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.042 0.937 . . . . 71.43 111.75 -176.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 90.6 m -89.16 136.62 30.07 Favored Pre-proline 0 N--CA 1.473 0.699 0 C-N-CA 123.429 0.692 . . . . 52.24 109.151 165.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -56.01 -32.06 84.68 Favored 'Trans proline' 0 C--N 1.381 2.252 0 C-N-CA 122.943 2.429 . . . . 65.51 113.702 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -87.11 -8.92 56.53 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 123.444 0.697 . . . . 63.51 111.375 -177.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 70.02 -125.72 16.03 Favored Glycine 0 C--N 1.349 1.299 0 CA-C-O 119.36 -0.689 . . . . 74.52 111.632 -174.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 43.1 tp -78.57 -15.62 58.35 Favored 'General case' 0 N--CA 1.485 1.311 0 CA-C-N 117.591 0.695 . . . . 75.42 110.862 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 78.7 mtm180 -71.82 -4.63 29.04 Favored 'General case' 0 N--CA 1.49 1.562 0 C-N-CA 123.105 0.562 . . . . 71.53 111.914 174.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . . . . . . . . . 34.7 t -52.91 140.78 23.62 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.593 1.157 . . . . 74.14 112.773 178.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 19.9 mm-40 -71.09 -37.27 72.42 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.396 0.678 . . . . 62.13 111.027 178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -87.73 145.16 26.26 Favored 'General case' 0 C--O 1.244 0.773 0 CA-C-N 115.305 -0.861 . . . . 62.15 110.127 -177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . 0.572 HG21 ' HB3' ' X' ' 316' ' ' LYS . 53.2 t -79.08 143.1 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.735 0.814 . . . . 64.22 110.135 -174.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.571 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 20.4 m170 -90.58 123.13 66.08 Favored Pre-proline 0 CA--C 1.54 0.576 0 N-CA-C 108.356 -0.979 . . . . 64.31 108.356 -179.295 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . 0.475 ' HD3' ' HB2' ' X' ' 319' ' ' LEU . 15.9 Cg_endo -56.92 -23.02 49.03 Favored 'Trans proline' 0 C--N 1.375 1.951 0 C-N-CA 123.024 2.483 . . . . 53.25 112.622 177.282 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 31.5 p -75.85 -32.14 59.62 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.245 1.018 . . . . 63.11 111.94 175.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -108.5 106.06 15.98 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 123.555 0.742 . . . . 71.23 109.721 179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -128.83 152.18 48.78 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.898 0.879 . . . . 71.32 109.847 -174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 . . . . . 0 CA--C 1.559 1.308 0 C-N-CA 123.461 0.704 . . . . 74.32 109.879 170.843 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 312' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 N--CA 1.483 1.212 0 N-CA-C 109.673 -0.491 . . . . 74.42 109.673 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 313' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -113.96 122.9 48.36 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.436 1.094 . . . . 42.34 108.883 179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 314' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.17 27.08 6.75 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.188 0.595 . . . . 73.52 110.273 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 315' ' ' TYR . . . . . . . . . . . . . 81.1 m-85 -68.8 -35.95 77.66 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.382 0.673 . . . . 72.11 110.874 -177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 316' ' ' LYS . . . . . . . . . . . . . 29.4 tptp -65.99 -45.22 82.4 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.27 1.028 . . . . 43.02 110.558 176.269 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 317' ' ' THR . . . . . . . . . . . . . 61.7 p -78.51 113.93 16.97 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.614 -0.721 . . . . 53.43 111.011 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 318' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -74.03 82.41 1.74 Allowed 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 106.863 -1.532 . . . . 74.12 106.863 171.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 319' ' ' LEU . . . . . . . . . . . . . 9.2 tt -70.81 126.85 30.74 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.454 0.702 . . . . 64.21 111.373 -164.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 320' ' ' CYS . . . . . 0.558 ' SG ' ' HD2' ' X' ' 341' ' ' HIS . 73.0 m -78.57 119.83 22.4 Favored 'General case' 0 C--O 1.248 0.981 0 C-N-CA 123.175 0.59 . . . . 74.44 110.213 174.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 321' ' ' LYS . . . . . . . . . . . . . 19.8 ptpt -60.56 -24.8 65.7 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.585 0.754 . . . . 61.45 110.626 171.752 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 322' ' ' ASN . . . . . . . . . . . . . 9.0 m120 -58.12 -46.82 84.94 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.475 1.11 . . . . 62.33 110.32 178.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 323' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -88.13 -17.57 30.69 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.35 0.66 . . . . 64.41 112.27 -177.623 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 324' ' ' ALA . . . . . . . . . . . . . . . -65.57 143.66 57.48 Favored 'General case' 0 N--CA 1.477 0.891 0 N-CA-C 109.449 -0.574 . . . . 61.52 109.449 174.245 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 325' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -60.73 131.56 51.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.826 0.85 . . . . 72.25 111.225 -174.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 326' ' ' GLY . . . . . . . . . . . . . . . 98.73 -6.05 60.35 Favored Glycine 0 C--N 1.345 1.028 0 N-CA-C 111.104 -0.798 . . . . 31.14 111.104 -165.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 327' ' ' GLY . . . . . . . . . . . . . . . -90.55 171.16 36.1 Favored Glycine 0 C--N 1.351 1.378 0 C-N-CA 123.747 0.689 . . . . 73.31 113.156 179.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 328' ' ' THR . . . . . 0.532 HG23 ' H ' ' X' ' 330' ' ' PHE . 8.6 t -81.62 -18.23 45.41 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.73 0.812 . . . . 74.45 111.299 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 329' ' ' GLY . . . . . . . . . . . . . . . 82.02 -4.74 74.34 Favored Glycine 0 C--N 1.347 1.147 0 C-N-CA 123.412 0.529 . . . . 42.43 113.437 -179.084 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 330' ' ' PHE . . . . . 0.532 ' H ' HG23 ' X' ' 328' ' ' THR . 83.0 m-85 -111.35 114.71 28.07 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.552 1.141 . . . . 71.43 109.828 -178.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 331' ' ' CYS . . . . . . . . . . . . . 67.9 m -81.83 137.55 47.1 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 109.003 -0.74 . . . . 52.24 109.003 166.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 332' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -66.47 -20.99 53.9 Favored 'Trans proline' 0 C--N 1.373 1.868 0 C-N-CA 122.456 2.104 . . . . 65.51 113.034 -172.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 333' ' ' TYR . . . . . 0.4 ' HB2' ' HA ' ' X' ' 337' ' ' CYS . 70.9 m-85 -94.79 -18.04 21.59 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.032 0.933 . . . . 63.51 111.516 178.261 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 334' ' ' GLY . . . . . . . . . . . . . . . 67.28 -107.23 1.94 Allowed Glycine 0 C--N 1.349 1.292 0 C-N-CA 123.018 0.342 . . . . 74.52 113.587 178.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 335' ' ' LEU . . . . . . . . . . . . . 47.7 tp -75.02 -34.31 61.9 Favored 'General case' 0 N--CA 1.484 1.263 0 C-N-CA 123.617 0.767 . . . . 75.42 110.531 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 336' ' ' ARG . . . . . . . . . . . . . 74.5 mtp180 -86.96 20.12 2.77 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.883 -0.599 . . . . 71.53 111.953 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 337' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' X' ' 333' ' ' TYR . 49.2 t -67.47 117.26 9.2 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 122.941 0.496 . . . . 74.14 110.234 178.433 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 338' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -71.45 -15.14 62.32 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.84 0.856 . . . . 62.13 112.055 -178.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 339' ' ' PHE . . . . . 0.462 ' HB2' ' SG ' ' X' ' 320' ' ' CYS . 95.4 m-85 -94.68 117.2 29.75 Favored 'General case' 0 C--O 1.246 0.891 0 N-CA-C 108.063 -1.088 . . . . 62.15 108.063 171.128 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 340' ' ' VAL . . . . . . . . . . . . . 7.4 p -74.39 133.28 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 121.1 0.476 . . . . 64.22 109.79 -178.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 341' ' ' HIS . . . . . 0.558 ' HD2' ' SG ' ' X' ' 320' ' ' CYS . 18.5 m80 -76.88 137.59 66.06 Favored Pre-proline 0 N--CA 1.471 0.58 0 CA-C-N 115.718 -0.673 . . . . 64.31 109.441 -173.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 342' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_endo -55.72 -41.32 78.73 Favored 'Trans proline' 0 C--N 1.369 1.631 0 C-N-CA 122.162 1.908 . . . . 53.25 111.632 176.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 343' ' ' THR . . . . . . . . . . . . . 6.3 m -111.22 76.33 0.97 Allowed 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 108.051 -1.092 . . . . 63.11 108.051 170.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 344' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -95.79 117.28 30.25 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.981 0.912 . . . . 71.23 109.837 -177.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 345' ' ' LYS . . . . . . . . . . . . . 8.7 mtpm? 56.22 21.67 5.48 Favored 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 124.41 1.084 . . . . 71.32 112.422 175.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 346' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.549 0.922 0 C-N-CA 124.716 1.206 . . . . 74.32 108.972 -174.865 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_