data_1as5_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1as5 _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.522 3.17 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.1 t -105.02 -1.0 26.26 Favored 'General case' 0 N--CA 1.531 3.596 0 N-CA-C 121.476 3.88 . . . . 0.0 121.476 -163.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.9 tp -91.5 150.32 21.27 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.388 1.475 . . . . 0.0 110.226 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 67.57 -9.42 0.43 Allowed 'General case' 0 N--CA 1.52 3.042 0 N-CA-C 118.934 2.938 . . . . 0.0 118.934 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.17 18.45 74.86 Favored Glycine 0 CA--C 1.557 2.673 0 CA-C-O 116.46 -2.3 . . . . 0.0 118.539 -175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -103.0 124.76 49.12 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 176.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.94 117.51 12.53 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -164.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.48 127.09 54.26 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.17 86.64 2.33 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.457 1.903 . . . . 0.0 106.341 157.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.58 2.128 0 CA-C-O 114.527 -2.654 . . . . 0.0 116.346 -162.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.046 0 N-CA-C 118.676 2.23 . . . . 0.0 118.676 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.454 ' SG ' ' HB1' ' A' ' 19' ' ' ALA . 36.8 t -84.43 -30.37 25.38 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.038 1.735 . . . . 0.0 113.516 158.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -79.2 3.67 17.11 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 118.967 2.951 . . . . 0.0 118.967 -108.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -63.09 -42.82 99.68 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 149.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HB1' ' SG ' ' A' ' 16' ' ' CYS . . . -78.61 86.77 4.58 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-O 123.436 1.588 . . . . 0.0 109.31 -169.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -32.33 -61.35 0.26 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 113.214 -1.812 . . . . 0.0 115.743 162.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.9 t 19.9 40.37 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 -171.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.327 77.2 m -123.53 -77.93 0.6 Allowed 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -178.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 131.768 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.323 0.6 OUTLIER . . . . . 0 CA--C 1.56 1.36 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.02 2.6 1.99 Allowed 'General case' 0 N--CA 1.538 3.952 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -164.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 tp -89.36 151.29 22.14 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 127.51 2.324 . . . . 0.0 110.161 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.263 79.7 m-85 69.22 -16.72 0.23 Allowed 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -175.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.15 17.03 17.01 Favored Glycine 0 CA--C 1.551 2.327 0 CA-C-O 116.348 -2.362 . . . . 0.0 118.101 164.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -135.88 130.03 33.21 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-N 120.454 2.127 . . . . 0.0 106.244 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.301 5.9 m -90.55 128.72 36.66 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.06 -155.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 155.56 40.49 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.781 1.633 . . . . 0.0 109.203 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.255 11.1 ptt180 -120.26 73.09 0.97 Allowed 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 127.535 2.334 . . . . 0.0 110.54 173.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.589 2.472 0 CA-C-O 114.74 -2.552 . . . . 0.0 117.638 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.817 0 N-CA-C 117.05 1.58 . . . . 0.0 117.05 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -114.94 -37.24 4.21 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 126.425 1.89 . . . . 0.0 112.273 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -80.75 4.9 17.4 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.74 2.867 . . . . 0.0 118.74 -106.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -71.65 -6.56 41.94 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 160.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.06 92.56 0.39 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 124.335 2.017 . . . . 0.0 113.683 -162.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 22' ' ' CYS . 80.3 p -50.39 -44.02 54.78 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 111.542 -2.572 . . . . 0.0 116.381 151.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 t -48.73 16.37 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 -163.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.441 ' H ' ' C ' ' A' ' 20' ' ' SER 0.264 3.9 t -68.63 -61.52 1.79 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.134 1.374 . . . . 0.0 113.152 149.599 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' A' ' 23' ' ' GLN . 8.6 mm-40 . . . . . 0 CA--C 1.567 1.61 0 C-N-CA 130.103 3.361 . . . . 0.0 116.258 145.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.515 1.8 m . . . . . 0 CA--C 1.571 1.755 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -94.91 15.32 18.96 Favored 'General case' 0 N--CA 1.534 3.749 0 N-CA-C 119.889 3.292 . . . . 0.0 119.889 -169.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.27 140.7 55.75 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 127.258 2.223 . . . . 0.0 111.728 -172.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -28.04 -46.4 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.037 1 N-CA-C 122.998 4.444 . . . . 0.0 122.998 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.43 -37.65 6.13 Favored Glycine 0 CA--C 1.551 2.314 0 CA-C-O 115.977 -2.568 . . . . 0.0 114.092 -166.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -151.55 138.61 19.14 Favored 'General case' 0 N--CA 1.515 2.806 0 CA-C-N 121.212 2.506 . . . . 0.0 106.928 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.92 81.77 8.4 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.304 0.573 . . . . 0.0 111.813 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.6 142.34 45.06 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.523 2.329 . . . . 0.0 113.452 147.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -122.98 81.94 1.93 Allowed 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 128.001 2.52 . . . . 0.0 107.383 171.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . 0.4 ' CD1' ' SG ' ' A' ' 16' ' ' CYS . 0.5 OUTLIER . . . . . 0 CA--C 1.591 2.527 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.718 0 N-CA-C 119.875 2.71 . . . . 0.0 119.875 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' CD1' ' A' ' 13' ' ' TYR 0.328 17.8 m -139.94 -66.0 0.46 Allowed 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 119.308 1.554 . . . . 0.0 107.046 -139.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 t -76.36 -1.73 28.28 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 119.297 3.073 . . . . 0.0 119.297 -94.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.7 m -70.84 -3.86 21.19 Favored 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 156.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.24 80.68 0.09 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -157.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -76.22 11.2 1.6 Allowed 'General case' 0 N--CA 1.528 3.449 0 N-CA-C 120.825 3.639 . . . . 0.0 120.825 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.9 t -33.07 -29.01 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.543 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 141.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.3 0.5 OUTLIER -102.79 -76.43 0.58 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 126.05 1.74 . . . . 0.0 111.22 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.424 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 7.8 mm100 . . . . . 0 CA--C 1.567 1.622 0 C-N-CA 131.019 3.728 . . . . 0.0 117.39 156.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 14.6 t . . . . . 0 N--CA 1.521 3.092 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.97 -4.82 10.59 Favored 'General case' 0 N--CA 1.527 3.383 1 N-CA-C 122.182 4.141 . . . . 0.0 122.182 -165.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -93.94 170.72 9.34 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 126.195 1.798 . . . . 0.0 109.15 -168.072 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.461 ' H ' HD12 ' A' ' 6' ' ' LEU . 86.5 m-85 76.74 -12.65 1.02 Allowed 'General case' 0 N--CA 1.516 2.863 0 C-N-CA 128.787 2.835 . . . . 0.0 116.129 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.73 -5.55 10.62 Favored Glycine 0 CA--C 1.549 2.213 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 160.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.02 133.1 29.53 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.293 2.9 m -84.82 115.01 22.5 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.79 0.836 . . . . 0.0 112.681 -158.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.438 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -89.69 122.51 32.87 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.844 1.658 . . . . 0.0 108.4 173.506 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -97.64 85.31 3.56 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 126.783 2.033 . . . . 0.0 107.406 162.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.585 2.315 0 CA-C-O 114.519 -2.658 . . . . 0.0 116.297 -164.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.159 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 28.6 t -80.48 -28.72 37.47 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 125.856 1.662 . . . . 0.0 114.642 155.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -78.02 4.46 12.18 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.759 2.874 . . . . 0.0 118.759 -107.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.4 m -69.69 -30.33 67.96 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 115.246 -2.311 . . . . 0.0 116.036 152.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -78.78 88.01 4.64 Favored 'General case' 0 C--N 1.372 1.586 0 CA-C-N 121.58 1.991 . . . . 0.0 110.624 -167.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 p -42.81 -62.21 1.07 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 112.882 -1.963 . . . . 0.0 114.83 163.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.276 30.5 t 19.77 34.62 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 23' ' ' GLN . 8.2 t -140.26 -26.08 0.77 Allowed 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 117.755 2.502 . . . . 0.0 117.755 -176.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 22' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 CA-C-N 124.959 3.527 . . . . 0.0 110.981 -55.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.406 1.7 p . . . . . 0 CA--C 1.574 1.897 0 N-CA-C 119.547 3.166 . . . . 0.0 119.547 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.1 t -69.48 11.51 0.24 Allowed 'General case' 1 N--CA 1.541 4.098 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 -158.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.477 ' CD1' ' H ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -123.84 171.3 9.76 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.736 -155.03 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.477 ' H ' ' CD1' ' A' ' 6' ' ' LEU . 86.6 m-85 70.72 1.37 3.68 Favored 'General case' 0 N--CA 1.522 3.141 0 C-N-CA 128.371 2.669 . . . . 0.0 116.298 174.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.57 27.48 71.08 Favored Glycine 0 CA--C 1.557 2.684 0 CA-C-O 116.32 -2.378 . . . . 0.0 118.67 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -132.82 142.47 48.99 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 120.788 2.294 . . . . 0.0 105.741 177.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.357 37.6 m -87.18 108.75 19.05 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.942 1.297 . . . . 0.0 112.613 -168.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.05 151.68 37.8 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.849 1.309 . . . . 0.0 107.587 175.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.254 10.4 ptm180 -134.21 77.63 1.71 Allowed 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 126.962 2.105 . . . . 0.0 108.277 164.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.588 2.438 0 CA-C-O 115.133 -2.365 . . . . 0.0 117.069 -160.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.214 0 N-CA-C 119.219 2.447 . . . . 0.0 119.219 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' SG ' ' HB1' ' A' ' 19' ' ' ALA . 6.6 t -140.95 -20.2 0.8 Allowed 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 120.846 2.323 . . . . 0.0 115.8 -161.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -71.89 10.88 0.61 Allowed 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 120.633 3.568 . . . . 0.0 120.633 -123.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.9 m -66.17 2.94 0.99 Allowed 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 149.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.43 ' HB1' ' SG ' ' A' ' 16' ' ' CYS . . . -61.03 85.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.797 2.039 . . . . 0.0 116.243 -156.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.2 m -79.39 -8.94 59.46 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 118.574 2.805 . . . . 0.0 118.574 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -30.75 -23.41 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 121.041 3.719 . . . . 0.0 121.041 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.263 1.2 m -97.99 -55.57 2.75 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.01 1.724 . . . . 0.0 114.232 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 CA--C 1.569 1.683 0 C-N-CA 129.389 3.075 . . . . 0.0 117.15 151.521 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.316 0.6 OUTLIER . . . . . 0 CA--C 1.572 1.812 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.13 10.18 2.09 Favored 'General case' 0 N--CA 1.536 3.839 0 N-CA-C 120.425 3.491 . . . . 0.0 120.425 -157.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.43 145.38 25.7 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.259 -163.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 68.71 -5.76 0.94 Allowed 'General case' 0 N--CA 1.519 2.987 0 C-N-CA 128.944 2.898 . . . . 0.0 118.726 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.01 27.92 69.52 Favored Glycine 0 CA--C 1.56 2.87 0 CA-C-O 116.359 -2.356 . . . . 0.0 117.759 -172.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -97.44 139.99 32.55 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.702 2.251 . . . . 0.0 105.259 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.28 90.47 2.61 Favored 'General case' 0 CA--C 1.567 1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 113.184 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 136.64 54.94 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.219 1.408 . . . . 0.0 108.277 161.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 64.46 1.56 Allowed 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 128.655 2.782 . . . . 0.0 110.692 175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.592 2.562 0 CA-C-O 115.457 -2.211 . . . . 0.0 116.806 -136.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.089 0 N-CA-C 119.04 2.376 . . . . 0.0 119.04 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 7.2 t -139.76 -17.84 0.96 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 120.584 2.192 . . . . 0.0 115.717 -163.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -78.98 19.38 0.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 119.75 3.241 . . . . 0.0 119.75 -121.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.93 -14.88 57.17 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 146.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -70.82 102.18 2.29 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.207 1.803 . . . . 0.0 111.213 -172.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.3 p -44.52 -67.12 0.31 Allowed 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 112.153 -2.294 . . . . 0.0 113.367 157.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.258 64.6 m 20.11 41.85 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 173.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.3 m -145.32 -49.43 0.24 Allowed 'General case' 0 CA--C 1.582 2.211 0 CA-C-O 115.311 -2.28 . . . . 0.0 113.05 -172.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 2 CA-C-N 129.519 5.599 . . . . 0.0 111.089 -31.551 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.516 2.825 0 N-CA-C 117.098 2.258 . . . . 0.0 117.098 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.0 6.41 41.14 Favored 'General case' 0 N--CA 1.535 3.784 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -166.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 tp -125.99 153.23 44.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.451 -155.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.327 80.6 m-85 81.45 -19.73 0.41 Allowed 'General case' 0 N--CA 1.519 2.995 0 C-N-CA 129.605 3.162 . . . . 0.0 118.353 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.01 5.84 37.72 Favored Glycine 0 CA--C 1.55 2.274 0 N-CA-C 119.192 2.437 . . . . 0.0 119.192 159.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -123.39 123.5 40.82 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 170.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.87 93.61 0.27 Allowed 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -161.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.1 126.59 0.26 Allowed 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 128.343 2.657 . . . . 0.0 115.265 146.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -136.99 83.82 2.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 127.193 2.197 . . . . 0.0 107.101 161.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.583 2.212 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -162.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.062 0 CA-C-O 117.353 -1.804 . . . . 0.0 116.968 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.57 -41.4 2.27 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 119.072 1.436 . . . . 0.0 111.778 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -68.38 -7.11 28.55 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 120.716 3.598 . . . . 0.0 120.716 -108.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -72.45 -28.36 62.89 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 158.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.37 83.25 3.81 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 121.001 1.728 . . . . 0.0 113.014 -160.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -71.8 16.45 0.12 Allowed 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 121.12 3.748 . . . . 0.0 121.12 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.9 t -14.2 -36.71 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 119.871 3.286 . . . . 0.0 119.871 153.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -106.57 -72.23 0.72 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 125.81 1.644 . . . . 0.0 112.952 -167.289 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 . . . . . 0 CA--C 1.569 1.674 0 C-N-CA 129.457 3.103 . . . . 0.0 118.73 149.229 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.34 0.8 OUTLIER . . . . . 0 CA--C 1.571 1.751 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.7 -1.85 10.22 Favored 'General case' 0 N--CA 1.534 3.743 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -162.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -71.97 169.06 16.7 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 127.073 2.149 . . . . 0.0 111.853 163.084 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.454 ' H ' HD12 ' A' ' 6' ' ' LEU . 80.3 m-85 76.49 -7.49 1.82 Allowed 'General case' 0 N--CA 1.515 2.79 0 C-N-CA 128.959 2.904 . . . . 0.0 116.248 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.22 77.41 Favored Glycine 0 CA--C 1.555 2.553 0 CA-C-O 116.572 -2.238 . . . . 0.0 118.239 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -139.55 152.35 46.83 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 120.348 2.074 . . . . 0.0 106.815 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.33 64.9 m -84.78 96.06 9.15 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 125.044 1.337 . . . . 0.0 114.313 -160.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.408 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 1.7 ptp180 -116.25 136.68 52.79 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.488 1.915 . . . . 0.0 108.092 173.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -129.64 80.69 1.98 Allowed 'General case' 0 CA--C 1.57 1.75 0 C-N-CA 128.071 2.548 . . . . 0.0 108.299 171.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.592 2.573 0 CA-C-O 114.753 -2.546 . . . . 0.0 117.283 -162.108 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.861 0 N-CA-C 116.804 1.482 . . . . 0.0 116.804 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.2 t -123.52 -35.1 2.97 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.514 1.926 . . . . 0.0 112.795 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.5 p -78.94 8.14 6.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.323 3.083 . . . . 0.0 119.323 -107.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -68.45 -14.87 63.3 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 157.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.37 88.13 1.18 Allowed 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 121.122 1.783 . . . . 0.0 113.519 -163.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -71.75 -11.24 60.72 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.5 p -48.0 -4.43 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 120.38 3.474 . . . . 0.0 120.38 -171.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.26 35.9 t -76.64 -74.04 0.26 Allowed 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 125.986 1.714 . . . . 0.0 112.67 167.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG2' ' H ' ' A' ' 23' ' ' GLN . 7.4 mm100 . . . . . 0 CA--C 1.567 1.611 0 C-N-CA 130.969 3.708 . . . . 0.0 117.48 154.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.521 3.098 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -114.67 161.89 17.53 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 122.021 0.915 . . . . 0.0 110.572 175.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.8 173.7 11.3 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -20.55 23.65 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 166.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.57 -44.94 0.03 OUTLIER Glycine 0 CA--C 1.557 2.686 0 CA-C-O 115.361 -2.911 . . . . 0.0 118.785 -154.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -142.63 152.23 42.27 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.722 3.261 . . . . 0.0 108.559 -168.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.35 63.7 m -90.73 139.79 30.39 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -163.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.419 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -132.54 127.22 34.64 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 159.42 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -110.99 86.05 2.24 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 127.101 2.16 . . . . 0.0 106.547 162.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.587 2.374 0 CA-C-O 114.823 -2.513 . . . . 0.0 116.559 -159.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.966 0 N-CA-C 118.329 2.092 . . . . 0.0 118.329 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 18.2 t -99.21 -32.18 11.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.588 1.955 . . . . 0.0 113.169 164.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -79.08 6.4 9.6 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -106.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.4 p -63.6 -44.73 93.14 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 148.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.427 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -78.79 88.24 4.65 Favored 'General case' 0 C--N 1.366 1.294 0 CA-C-O 123.278 1.513 . . . . 0.0 110.641 -163.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -64.13 0.87 Allowed 'General case' 0 N--CA 1.511 2.587 0 CA-C-N 113.414 -1.721 . . . . 0.0 112.754 168.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 21' ' ' CYS 0.281 12.3 t 19.75 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.881 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -163.338 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.275 1.3 t -134.98 -91.85 0.31 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -172.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.405 ' HG2' ' H ' ' A' ' 23' ' ' GLN . 7.7 mm100 . . . . . 0 CA--C 1.57 1.721 0 C-N-CA 129.012 2.925 . . . . 0.0 118.533 140.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.516 2.869 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -1.0 25.04 Favored 'General case' 0 N--CA 1.529 3.51 0 N-CA-C 120.998 3.703 . . . . 0.0 120.998 -163.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 tt -94.06 145.98 24.28 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.054 1.742 . . . . 0.0 108.307 -168.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 70.85 -11.77 0.62 Allowed 'General case' 0 N--CA 1.519 2.98 0 C-N-CA 129.005 2.922 . . . . 0.0 118.03 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.76 36.73 41.61 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 156.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -136.21 114.84 11.93 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 103.175 -2.898 . . . . 0.0 103.175 156.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.03 134.77 35.38 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 118.108 -0.948 . . . . 0.0 112.412 -151.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.414 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -97.75 123.48 41.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.18 1.392 . . . . 0.0 107.5 167.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -95.26 83.77 3.93 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 112.801 -2.0 . . . . 0.0 107.564 159.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.583 2.22 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -159.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 2.0 0 CA-C-O 117.188 -1.895 . . . . 0.0 117.2 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -125.55 -40.32 2.09 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.26 1.53 . . . . 0.0 111.749 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -67.27 -10.92 55.55 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -110.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.7 m -73.04 -26.03 61.15 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 161.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.67 86.46 2.72 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.279 1.399 . . . . 0.0 112.024 -161.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.405 ' HB3' HE21 ' A' ' 23' ' ' GLN . 39.4 m -66.51 2.06 1.44 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 119.826 3.269 . . . . 0.0 119.826 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -34.92 -19.33 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 161.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.301 94.3 m -85.86 -70.98 0.56 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 125.955 1.702 . . . . 0.0 111.043 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 20' ' ' SER . 4.3 mt-30 . . . . . 0 CA--C 1.567 1.599 0 C-N-CA 130.336 3.455 . . . . 0.0 117.163 153.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.514 2.727 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.41 0.85 23.2 Favored 'General case' 0 N--CA 1.531 3.616 0 N-CA-C 121.237 3.791 . . . . 0.0 121.237 -156.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.452 HD12 ' H ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -91.04 173.26 8.04 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 126.549 1.94 . . . . 0.0 109.447 -171.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.452 ' H ' HD12 ' A' ' 6' ' ' LEU . 85.3 m-85 76.73 -3.49 2.51 Favored 'General case' 0 N--CA 1.518 2.948 0 C-N-CA 128.999 2.919 . . . . 0.0 116.209 173.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.66 -0.53 89.3 Favored Glycine 0 CA--C 1.55 2.23 0 N-CA-C 119.499 2.56 . . . . 0.0 119.499 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -137.76 121.32 17.27 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 104.485 -2.413 . . . . 0.0 104.485 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.29 139.69 36.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 118.867 0.758 . . . . 0.0 112.642 -159.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.42 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -93.58 121.77 35.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.813 1.645 . . . . 0.0 107.714 163.75 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -101.19 84.52 2.66 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 112.452 -2.158 . . . . 0.0 107.186 163.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.59 2.484 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -158.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.869 0 N-CA-C 118.228 2.051 . . . . 0.0 118.228 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.0 t -125.45 -39.27 2.19 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 119.156 1.478 . . . . 0.0 112.217 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -72.56 -1.86 17.6 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 120.33 3.455 . . . . 0.0 120.33 -110.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.1 m -72.77 -24.63 60.97 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 157.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.03 85.22 0.71 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 121.528 1.967 . . . . 0.0 113.609 -158.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.688 ' HG ' ' HB2' ' A' ' 23' ' ' GLN . 30.7 t -66.83 2.39 1.43 Allowed 'General case' 0 N--CA 1.526 3.348 0 N-CA-C 121.634 3.939 . . . . 0.0 121.634 177.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 t -32.36 -28.57 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.309 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 141.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.312 95.2 m -95.35 -74.77 0.54 Allowed 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.909 1.283 . . . . 0.0 110.086 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.688 ' HB2' ' HG ' ' A' ' 20' ' ' SER . 15.8 mm-40 . . . . . 0 CA--C 1.567 1.609 0 C-N-CA 130.485 3.514 . . . . 0.0 117.263 153.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.519 2.993 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.9 7.11 36.06 Favored 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 120.584 3.55 . . . . 0.0 120.584 -157.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -79.57 144.6 33.73 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.125 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -95.79 -30.99 13.4 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 -127.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.94 -35.24 58.21 Favored Glycine 0 CA--C 1.554 2.513 0 CA-C-O 115.781 -2.677 . . . . 0.0 117.828 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -141.59 132.83 26.44 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 121.514 2.657 . . . . 0.0 106.467 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.5 132.54 40.83 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.09 128.57 52.71 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 169.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.09 83.53 1.8 Allowed 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 126.335 1.854 . . . . 0.0 106.664 156.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.583 2.225 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -160.031 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.087 0 CA-C-O 117.281 -1.844 . . . . 0.0 117.184 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.419 ' SG ' ' HB1' ' A' ' 19' ' ' ALA . 44.4 t -126.89 -37.96 2.07 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 119.268 1.534 . . . . 0.0 112.201 -176.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -70.95 -2.1 14.13 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -110.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -65.34 -43.48 90.79 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 151.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB1' ' SG ' ' A' ' 16' ' ' CYS . . . -79.13 87.21 4.89 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.256 1.503 . . . . 0.0 110.216 -163.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.1 p -29.98 -57.21 0.18 Allowed 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -7.88 60.22 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 129.695 3.198 . . . . 0.0 119.195 -164.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.1 m -142.7 -52.39 0.39 Allowed 'General case' 0 CA--C 1.585 2.293 0 CA-C-N 111.499 -2.591 . . . . 0.0 113.256 -175.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.426 ' H ' ' HG3' ' A' ' 23' ' ' GLN . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 2 CA-C-N 129.529 5.604 . . . . 0.0 110.911 -31.496 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.516 2.842 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 t -105.67 -7.04 18.7 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 122.302 4.186 . . . . 0.0 122.302 -166.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.479 ' CD1' ' H ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -94.74 170.29 9.55 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 126.349 1.86 . . . . 0.0 109.102 -171.199 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.479 ' H ' ' CD1' ' A' ' 6' ' ' LEU . 85.9 m-85 75.39 -8.94 1.48 Allowed 'General case' 0 N--CA 1.517 2.92 0 C-N-CA 128.771 2.828 . . . . 0.0 116.47 173.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.38 53.18 Favored Glycine 0 CA--C 1.552 2.374 0 CA-C-O 116.627 -2.207 . . . . 0.0 117.944 169.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.86 128.98 29.58 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.2 2.0 . . . . 0.0 105.914 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.51 115.15 12.56 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 119.272 0.942 . . . . 0.0 112.413 -168.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.408 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -105.58 131.14 53.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.656 1.582 . . . . 0.0 107.933 173.333 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -112.81 86.6 2.4 Favored 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.171 2.188 . . . . 0.0 106.87 161.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.59 2.509 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -159.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.987 0 N-CA-C 118.31 2.084 . . . . 0.0 118.31 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.444 ' SG ' ' HB1' ' A' ' 19' ' ' ALA . 53.3 t -120.53 -37.73 2.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 119.168 1.484 . . . . 0.0 111.878 -176.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.4 t -74.7 2.4 10.05 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -109.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -64.74 -44.27 90.66 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 149.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB1' ' SG ' ' A' ' 16' ' ' CYS . . . -78.57 88.16 4.51 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-O 123.805 1.764 . . . . 0.0 109.913 -165.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -37.87 -59.41 0.83 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 112.999 -1.909 . . . . 0.0 114.368 158.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 t 15.69 45.78 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.021 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.409 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 79.0 m -140.89 -53.06 0.48 Allowed 'General case' 0 CA--C 1.583 2.241 0 CA-C-O 115.502 -2.189 . . . . 0.0 113.687 -169.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.409 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.429 2 CA-C-N 129.289 5.495 . . . . 0.0 111.001 -35.48 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 8.7 t . . . . . 0 N--CA 1.516 2.871 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.33 3.18 55.54 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 120.59 3.552 . . . . 0.0 120.59 -160.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.5 tp -89.38 153.26 20.99 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.568 -165.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 67.64 -6.0 0.73 Allowed 'General case' 0 N--CA 1.523 3.189 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.96 86.77 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 119.309 2.484 . . . . 0.0 119.309 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -122.34 120.05 32.89 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 168.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.18 153.15 39.62 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 117.926 -1.035 . . . . 0.0 113.544 -157.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -100.2 122.33 42.84 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.267 12.9 ptm180 -91.2 74.06 6.23 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 125.508 1.523 . . . . 0.0 109.731 164.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.573 1.85 0 CA-C-O 113.882 -2.961 . . . . 0.0 118.332 -173.285 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.865 0 N-CA-C 117.955 1.942 . . . . 0.0 117.955 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.5 t -77.65 -34.85 52.97 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.217 1.407 . . . . 0.0 113.542 151.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -73.29 -10.09 59.39 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 118.975 2.954 . . . . 0.0 118.975 -111.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 m -73.07 -16.8 61.47 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 164.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 88.52 0.06 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.472 1.509 . . . . 0.0 113.891 -165.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . 0.548 ' HG ' ' HB2' ' A' ' 23' ' ' GLN . 47.0 t -69.8 8.66 0.65 Allowed 'General case' 0 N--CA 1.527 3.396 0 N-CA-C 120.983 3.697 . . . . 0.0 120.983 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.2 t -27.29 -34.73 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.538 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 127.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 76.1 m -109.13 -73.16 0.7 Allowed 'General case' 0 CA--C 1.568 1.666 0 C-N-CA 124.855 1.262 . . . . 0.0 109.86 -166.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.548 ' HB2' ' HG ' ' A' ' 20' ' ' SER . 7.2 mm100 . . . . . 0 CA--C 1.568 1.655 0 C-N-CA 130.379 3.472 . . . . 0.0 117.438 149.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.4 m170 . . . . . 0 CA--C 1.611 3.302 0 CA-C-O 114.906 -2.473 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t -61.74 -34.46 75.86 Favored 'General case' 0 N--CA 1.522 3.17 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 173.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.1 t -105.02 -1.0 26.26 Favored 'General case' 0 N--CA 1.531 3.596 0 N-CA-C 121.476 3.88 . . . . 0.0 121.476 -163.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.9 tp -91.5 150.32 21.27 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.388 1.475 . . . . 0.0 110.226 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 67.57 -9.42 0.43 Allowed 'General case' 0 N--CA 1.52 3.042 0 N-CA-C 118.934 2.938 . . . . 0.0 118.934 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.17 18.45 74.86 Favored Glycine 0 CA--C 1.557 2.673 0 CA-C-O 116.46 -2.3 . . . . 0.0 118.539 -175.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -103.0 124.76 49.12 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 176.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.94 117.51 12.53 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -164.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.48 127.09 54.26 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.17 86.64 2.33 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.457 1.903 . . . . 0.0 106.341 157.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.28 168.44 15.49 Favored 'General case' 0 CA--C 1.58 2.128 0 CA-C-O 114.527 -2.654 . . . . 0.0 116.346 -162.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.1 52.23 8.05 Favored Glycine 0 CA--C 1.547 2.046 0 N-CA-C 118.676 2.23 . . . . 0.0 118.676 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.454 ' SG ' ' HB1' ' A' ' 19' ' ' ALA . 36.8 t -84.43 -30.37 25.38 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.038 1.735 . . . . 0.0 113.516 158.338 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -79.2 3.67 17.11 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 118.967 2.951 . . . . 0.0 118.967 -108.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -63.09 -42.82 99.68 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 149.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.454 ' HB1' ' SG ' ' A' ' 16' ' ' CYS . . . -78.61 86.77 4.58 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-O 123.436 1.588 . . . . 0.0 109.31 -169.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -32.33 -61.35 0.26 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 113.214 -1.812 . . . . 0.0 115.743 162.159 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.9 t 19.9 40.37 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 -171.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.327 77.2 m -123.53 -77.93 0.6 Allowed 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -178.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 5.39 142.3 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 131.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -134.3 110.72 9.68 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 103.258 -2.867 . . . . 0.0 103.258 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 120.134 -1.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.3 m170 . . . . . 0 CA--C 1.601 2.94 0 CA-C-O 114.429 -2.701 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . 0.512 ' C ' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . 0.528 ' C ' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.323 0.6 OUTLIER -64.26 -46.35 84.1 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.02 2.6 1.99 Allowed 'General case' 0 N--CA 1.538 3.952 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -164.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 tp -89.36 151.29 22.14 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 127.51 2.324 . . . . 0.0 110.161 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.263 79.7 m-85 69.22 -16.72 0.23 Allowed 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -175.506 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.15 17.03 17.01 Favored Glycine 0 CA--C 1.551 2.327 0 CA-C-O 116.348 -2.362 . . . . 0.0 118.101 164.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -135.88 130.03 33.21 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-N 120.454 2.127 . . . . 0.0 106.244 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.301 5.9 m -90.55 128.72 36.66 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.06 -155.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 155.56 40.49 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.781 1.633 . . . . 0.0 109.203 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.255 11.1 ptt180 -120.26 73.09 0.97 Allowed 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 127.535 2.334 . . . . 0.0 110.54 173.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.528 ' HH ' ' C ' ' A' ' 3' ' ' HYP . 0.0 OUTLIER -114.7 177.12 4.76 Favored 'General case' 0 CA--C 1.589 2.472 0 CA-C-O 114.74 -2.552 . . . . 0.0 117.638 -171.772 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.97 58.86 3.32 Favored Glycine 0 CA--C 1.543 1.817 0 CA-C-N 111.886 -2.416 . . . . 0.0 117.05 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -114.94 -37.24 4.21 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 126.425 1.89 . . . . 0.0 112.273 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -80.75 4.9 17.4 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.74 2.867 . . . . 0.0 118.74 -106.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -71.65 -6.56 41.94 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 160.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.06 92.56 0.39 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 124.335 2.017 . . . . 0.0 113.683 -162.792 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 22' ' ' CYS . 80.3 p -50.39 -44.02 54.78 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 111.542 -2.572 . . . . 0.0 116.381 151.877 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 t -48.73 16.37 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 -163.449 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.441 ' H ' ' C ' ' A' ' 20' ' ' SER 0.264 3.9 t -68.63 -61.52 1.79 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.134 1.374 . . . . 0.0 113.152 149.599 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HG2' ' H ' ' A' ' 23' ' ' GLN . 8.6 mm-40 -17.29 145.33 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.61 0 C-N-CA 130.103 3.361 . . . . 0.0 116.258 145.301 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.13 -70.22 0.7 Allowed 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.071 0 O-C-N 118.457 -2.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.3 m170 . . . . . 0 CA--C 1.602 2.954 0 CA-C-O 114.432 -2.699 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . 0.774 ' C ' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.515 1.8 m -68.5 -23.26 64.53 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 176.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -94.91 15.32 18.96 Favored 'General case' 0 N--CA 1.534 3.749 0 N-CA-C 119.889 3.292 . . . . 0.0 119.889 -169.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.27 140.7 55.75 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 127.258 2.223 . . . . 0.0 111.728 -172.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -28.04 -46.4 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.037 1 N-CA-C 122.998 4.444 . . . . 0.0 122.998 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.43 -37.65 6.13 Favored Glycine 0 CA--C 1.551 2.314 0 CA-C-O 115.977 -2.568 . . . . 0.0 114.092 -166.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -151.55 138.61 19.14 Favored 'General case' 0 N--CA 1.515 2.806 0 CA-C-N 121.212 2.506 . . . . 0.0 106.928 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.92 81.77 8.4 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.304 0.573 . . . . 0.0 111.813 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.6 142.34 45.06 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.523 2.329 . . . . 0.0 113.452 147.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -122.98 81.94 1.93 Allowed 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 128.001 2.52 . . . . 0.0 107.383 171.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.774 ' HH ' ' C ' ' A' ' 2' ' ' HYP . 0.5 OUTLIER -110.91 -171.95 1.93 Allowed 'General case' 0 CA--C 1.591 2.527 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -170.108 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.35 21.79 0.03 OUTLIER Glycine 0 CA--C 1.557 2.718 0 N-CA-C 119.875 2.71 . . . . 0.0 119.875 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' CD1' ' A' ' 13' ' ' TYR 0.328 17.8 m -139.94 -66.0 0.46 Allowed 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 119.308 1.554 . . . . 0.0 107.046 -139.735 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 t -76.36 -1.73 28.28 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 119.297 3.073 . . . . 0.0 119.297 -94.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.7 m -70.84 -3.86 21.19 Favored 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 156.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.24 80.68 0.09 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -157.516 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -76.22 11.2 1.6 Allowed 'General case' 0 N--CA 1.528 3.449 0 N-CA-C 120.825 3.639 . . . . 0.0 120.825 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.9 t -33.07 -29.01 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.543 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 141.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.3 0.5 OUTLIER -102.79 -76.43 0.58 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 126.05 1.74 . . . . 0.0 111.22 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.424 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 7.8 mm100 -11.57 148.69 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 131.019 3.728 . . . . 0.0 117.39 156.728 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -135.14 117.71 15.9 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 119.733 -1.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.9 m170 . . . . . 0 CA--C 1.611 3.314 0 CA-C-O 114.932 -2.461 . . . . 0.0 108.665 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 14.6 t -58.52 -33.58 70.01 Favored 'General case' 0 N--CA 1.521 3.092 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 172.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.97 -4.82 10.59 Favored 'General case' 0 N--CA 1.527 3.383 1 N-CA-C 122.182 4.141 . . . . 0.0 122.182 -165.332 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.461 HD12 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -93.94 170.72 9.34 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 126.195 1.798 . . . . 0.0 109.15 -168.072 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.461 ' H ' HD12 ' A' ' 6' ' ' LEU . 86.5 m-85 76.74 -12.65 1.02 Allowed 'General case' 0 N--CA 1.516 2.863 0 C-N-CA 128.787 2.835 . . . . 0.0 116.129 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.73 -5.55 10.62 Favored Glycine 0 CA--C 1.549 2.213 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 160.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.02 133.1 29.53 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.293 2.9 m -84.82 115.01 22.5 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.79 0.836 . . . . 0.0 112.681 -158.702 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -89.69 122.51 32.87 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.844 1.658 . . . . 0.0 108.4 173.506 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -97.64 85.31 3.56 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 126.783 2.033 . . . . 0.0 107.406 162.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.25 173.76 9.49 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-O 114.519 -2.658 . . . . 0.0 116.297 -164.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.26 46.75 40.37 Favored Glycine 0 CA--C 1.549 2.159 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 28.6 t -80.48 -28.72 37.47 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 125.856 1.662 . . . . 0.0 114.642 155.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -78.02 4.46 12.18 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.759 2.874 . . . . 0.0 118.759 -107.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.4 m -69.69 -30.33 67.96 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 115.246 -2.311 . . . . 0.0 116.036 152.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.449 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -78.78 88.01 4.64 Favored 'General case' 0 C--N 1.372 1.586 0 CA-C-N 121.58 1.991 . . . . 0.0 110.624 -167.414 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 p -42.81 -62.21 1.07 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 112.882 -1.963 . . . . 0.0 114.83 163.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.276 30.5 t 19.77 34.62 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.424 ' HB3' ' HA ' ' A' ' 23' ' ' GLN . 8.2 t -140.26 -26.08 0.77 Allowed 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 117.755 2.502 . . . . 0.0 117.755 -176.47 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.424 ' HA ' ' HB3' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -122.85 144.66 49.06 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 124.959 3.527 . . . . 0.0 110.981 -55.812 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.301 19.2 tpp180 61.23 -63.79 0.07 Allowed 'General case' 0 N--CA 1.505 2.317 0 C-N-CA 126.791 2.036 . . . . 0.0 113.944 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 O-C-N 118.728 -2.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.3 m170 . . . . . 0 CA--C 1.603 2.992 0 CA-C-O 114.509 -2.662 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . 0.672 ' C ' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.406 1.7 p -54.03 -44.21 70.81 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 119.547 3.166 . . . . 0.0 119.547 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.1 t -69.48 11.51 0.24 Allowed 'General case' 1 N--CA 1.541 4.098 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 -158.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.477 ' CD1' ' H ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -123.84 171.3 9.76 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.736 -155.03 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.477 ' H ' ' CD1' ' A' ' 6' ' ' LEU . 86.6 m-85 70.72 1.37 3.68 Favored 'General case' 0 N--CA 1.522 3.141 0 C-N-CA 128.371 2.669 . . . . 0.0 116.298 174.001 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.57 27.48 71.08 Favored Glycine 0 CA--C 1.557 2.684 0 CA-C-O 116.32 -2.378 . . . . 0.0 118.67 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -132.82 142.47 48.99 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 120.788 2.294 . . . . 0.0 105.741 177.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.357 37.6 m -87.18 108.75 19.05 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.942 1.297 . . . . 0.0 112.613 -168.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.05 151.68 37.8 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.849 1.309 . . . . 0.0 107.587 175.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.254 10.4 ptm180 -134.21 77.63 1.71 Allowed 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 126.962 2.105 . . . . 0.0 108.277 164.683 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.672 ' HH ' ' C ' ' A' ' 2' ' ' HYP . 0.3 OUTLIER -110.86 -175.19 2.65 Favored 'General case' 0 CA--C 1.588 2.438 0 CA-C-O 115.133 -2.365 . . . . 0.0 117.069 -160.841 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.83 27.05 0.07 OUTLIER Glycine 0 CA--C 1.549 2.214 0 N-CA-C 119.219 2.447 . . . . 0.0 119.219 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' SG ' ' HB1' ' A' ' 19' ' ' ALA . 6.6 t -140.95 -20.2 0.8 Allowed 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 120.846 2.323 . . . . 0.0 115.8 -161.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -71.89 10.88 0.61 Allowed 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 120.633 3.568 . . . . 0.0 120.633 -123.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.9 m -66.17 2.94 0.99 Allowed 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 149.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.43 ' HB1' ' SG ' ' A' ' 16' ' ' CYS . . . -61.03 85.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.797 2.039 . . . . 0.0 116.243 -156.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.2 m -79.39 -8.94 59.46 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 118.574 2.805 . . . . 0.0 118.574 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -30.75 -23.41 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 121.041 3.719 . . . . 0.0 121.041 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.263 1.2 m -97.99 -55.57 2.75 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.01 1.724 . . . . 0.0 114.232 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -14.28 145.58 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 129.389 3.075 . . . . 0.0 117.15 151.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -129.35 -67.3 0.77 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.088 0 O-C-N 118.398 -2.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.9 m170 . . . . . 0 CA--C 1.618 3.562 0 CA-C-O 115.223 -2.322 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.316 0.6 OUTLIER -68.17 -58.28 4.69 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 166.445 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.13 10.18 2.09 Favored 'General case' 0 N--CA 1.536 3.839 0 N-CA-C 120.425 3.491 . . . . 0.0 120.425 -157.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.43 145.38 25.7 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.259 -163.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 68.71 -5.76 0.94 Allowed 'General case' 0 N--CA 1.519 2.987 0 C-N-CA 128.944 2.898 . . . . 0.0 118.726 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.01 27.92 69.52 Favored Glycine 0 CA--C 1.56 2.87 0 CA-C-O 116.359 -2.356 . . . . 0.0 117.759 -172.422 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -97.44 139.99 32.55 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.702 2.251 . . . . 0.0 105.259 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.28 90.47 2.61 Favored 'General case' 0 CA--C 1.567 1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 113.184 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 136.64 54.94 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.219 1.408 . . . . 0.0 108.277 161.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 64.46 1.56 Allowed 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 128.655 2.782 . . . . 0.0 110.692 175.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -174.14 2.45 Favored 'General case' 0 CA--C 1.592 2.562 0 CA-C-O 115.457 -2.211 . . . . 0.0 116.806 -136.45 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.28 29.01 0.08 OUTLIER Glycine 0 CA--C 1.547 2.089 0 N-CA-C 119.04 2.376 . . . . 0.0 119.04 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.453 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 7.2 t -139.76 -17.84 0.96 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 120.584 2.192 . . . . 0.0 115.717 -163.262 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -78.98 19.38 0.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 119.75 3.241 . . . . 0.0 119.75 -121.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.93 -14.88 57.17 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 146.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.453 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -70.82 102.18 2.29 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.207 1.803 . . . . 0.0 111.213 -172.035 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.3 p -44.52 -67.12 0.31 Allowed 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 112.153 -2.294 . . . . 0.0 113.367 157.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.258 64.6 m 20.11 41.85 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 173.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 87.3 m -145.32 -49.43 0.24 Allowed 'General case' 0 CA--C 1.582 2.211 0 CA-C-O 115.311 -2.28 . . . . 0.0 113.05 -172.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.57 147.16 48.63 Favored 'General case' 0 N--CA 1.489 1.488 2 CA-C-N 129.519 5.599 . . . . 0.0 111.089 -31.551 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -88.16 126.61 35.22 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.013 0.925 . . . . 0.0 109.414 -179.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 120.333 -1.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.4 m170 . . . . . 0 CA--C 1.596 2.747 0 CA-C-O 114.697 -2.573 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.8 t -77.44 -28.97 52.67 Favored 'General case' 0 N--CA 1.516 2.825 0 N-CA-C 117.098 2.258 . . . . 0.0 117.098 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.0 6.41 41.14 Favored 'General case' 0 N--CA 1.535 3.784 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -166.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 tp -125.99 153.23 44.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.451 -155.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.327 80.6 m-85 81.45 -19.73 0.41 Allowed 'General case' 0 N--CA 1.519 2.995 0 C-N-CA 129.605 3.162 . . . . 0.0 118.353 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.01 5.84 37.72 Favored Glycine 0 CA--C 1.55 2.274 0 N-CA-C 119.192 2.437 . . . . 0.0 119.192 159.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -123.39 123.5 40.82 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 170.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.87 93.61 0.27 Allowed 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -161.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.1 126.59 0.26 Allowed 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 128.343 2.657 . . . . 0.0 115.265 146.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -136.99 83.82 2.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 127.193 2.197 . . . . 0.0 107.101 161.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.64 175.68 6.36 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -162.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.06 42.05 0.16 Allowed Glycine 0 CA--C 1.547 2.062 0 CA-C-N 121.857 2.117 . . . . 0.0 116.968 -170.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.57 -41.4 2.27 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 119.072 1.436 . . . . 0.0 111.778 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -68.38 -7.11 28.55 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 120.716 3.598 . . . . 0.0 120.716 -108.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -72.45 -28.36 62.89 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 158.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.37 83.25 3.81 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 121.001 1.728 . . . . 0.0 113.014 -160.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -71.8 16.45 0.12 Allowed 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 121.12 3.748 . . . . 0.0 121.12 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.9 t -14.2 -36.71 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 119.871 3.286 . . . . 0.0 119.871 153.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -106.57 -72.23 0.72 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 125.81 1.644 . . . . 0.0 112.952 -167.289 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 3.12 142.31 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 129.457 3.103 . . . . 0.0 118.73 149.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -134.0 110.77 9.88 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 103.285 -2.857 . . . . 0.0 103.285 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.163 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.1 m170 . . . . . 0 CA--C 1.603 3.014 0 CA-C-O 114.453 -2.689 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . 0.635 ' C ' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.34 0.8 OUTLIER -59.05 -50.41 74.18 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 174.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.7 -1.85 10.22 Favored 'General case' 0 N--CA 1.534 3.743 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -162.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.454 HD12 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -71.97 169.06 16.7 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 127.073 2.149 . . . . 0.0 111.853 163.084 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.454 ' H ' HD12 ' A' ' 6' ' ' LEU . 80.3 m-85 76.49 -7.49 1.82 Allowed 'General case' 0 N--CA 1.515 2.79 0 C-N-CA 128.959 2.904 . . . . 0.0 116.248 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.22 77.41 Favored Glycine 0 CA--C 1.555 2.553 0 CA-C-O 116.572 -2.238 . . . . 0.0 118.239 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -139.55 152.35 46.83 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 120.348 2.074 . . . . 0.0 106.815 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.33 64.9 m -84.78 96.06 9.15 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 125.044 1.337 . . . . 0.0 114.313 -160.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' H ' ' HG2' ' A' ' 11' ' ' ARG . 1.7 ptp180 -116.25 136.68 52.79 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.488 1.915 . . . . 0.0 108.092 173.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -129.64 80.69 1.98 Allowed 'General case' 0 CA--C 1.57 1.75 0 C-N-CA 128.071 2.548 . . . . 0.0 108.299 171.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . 0.635 ' HH ' ' C ' ' A' ' 2' ' ' HYP . 0.1 OUTLIER -117.72 179.24 4.13 Favored 'General case' 0 CA--C 1.592 2.573 0 CA-C-O 114.753 -2.546 . . . . 0.0 117.283 -162.108 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.3 59.64 3.28 Favored Glycine 0 CA--C 1.544 1.861 0 CA-C-N 111.787 -2.461 . . . . 0.0 116.804 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.2 t -123.52 -35.1 2.97 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.514 1.926 . . . . 0.0 112.795 177.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.5 p -78.94 8.14 6.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.323 3.083 . . . . 0.0 119.323 -107.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -68.45 -14.87 63.3 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 157.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.37 88.13 1.18 Allowed 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 121.122 1.783 . . . . 0.0 113.519 -163.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -71.75 -11.24 60.72 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.5 p -48.0 -4.43 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 120.38 3.474 . . . . 0.0 120.38 -171.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.26 35.9 t -76.64 -74.04 0.26 Allowed 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 125.986 1.714 . . . . 0.0 112.67 167.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.43 ' HG2' ' H ' ' A' ' 23' ' ' GLN . 7.4 mm100 -7.18 146.54 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 130.969 3.708 . . . . 0.0 117.48 154.664 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -134.72 117.68 16.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 119.67 -1.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.2 m170 . . . . . 0 CA--C 1.611 3.325 0 CA-C-O 114.924 -2.465 . . . . 0.0 108.612 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.34 -28.07 66.5 Favored 'General case' 0 N--CA 1.521 3.098 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 173.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -114.67 161.89 17.53 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 122.021 0.915 . . . . 0.0 110.572 175.288 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.8 173.7 11.3 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -20.55 23.65 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 166.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.57 -44.94 0.03 OUTLIER Glycine 0 CA--C 1.557 2.686 0 CA-C-O 115.361 -2.911 . . . . 0.0 118.785 -154.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -142.63 152.23 42.27 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.722 3.261 . . . . 0.0 108.559 -168.001 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.35 63.7 m -90.73 139.79 30.39 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -163.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.419 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -132.54 127.22 34.64 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 159.42 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -110.99 86.05 2.24 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 127.101 2.16 . . . . 0.0 106.547 162.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -126.52 174.58 8.55 Favored 'General case' 0 CA--C 1.587 2.374 0 CA-C-O 114.823 -2.513 . . . . 0.0 116.559 -159.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.62 54.69 5.34 Favored Glycine 0 CA--C 1.545 1.966 0 CA-C-N 112.329 -2.214 . . . . 0.0 118.329 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.427 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 18.2 t -99.21 -32.18 11.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.588 1.955 . . . . 0.0 113.169 164.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -79.08 6.4 9.6 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -106.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.4 p -63.6 -44.73 93.14 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 148.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.427 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -78.79 88.24 4.65 Favored 'General case' 0 C--N 1.366 1.294 0 CA-C-O 123.278 1.513 . . . . 0.0 110.641 -163.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -64.13 0.87 Allowed 'General case' 0 N--CA 1.511 2.587 0 CA-C-N 113.414 -1.721 . . . . 0.0 112.754 168.401 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 21' ' ' CYS 0.281 12.3 t 19.75 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.881 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -163.338 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.275 1.3 t -134.98 -91.85 0.31 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -172.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.405 ' HG2' ' H ' ' A' ' 23' ' ' GLN . 7.7 mm100 6.35 142.29 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 C-N-CA 129.012 2.925 . . . . 0.0 118.533 140.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -134.68 110.34 9.21 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 120.239 -1.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.4 m170 . . . . . 0 CA--C 1.612 3.353 0 CA-C-O 115.026 -2.416 . . . . 0.0 108.8 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.1 t -65.53 -42.81 91.57 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -1.0 25.04 Favored 'General case' 0 N--CA 1.529 3.51 0 N-CA-C 120.998 3.703 . . . . 0.0 120.998 -163.33 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 tt -94.06 145.98 24.28 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.054 1.742 . . . . 0.0 108.307 -168.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 70.85 -11.77 0.62 Allowed 'General case' 0 N--CA 1.519 2.98 0 C-N-CA 129.005 2.922 . . . . 0.0 118.03 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.76 36.73 41.61 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 156.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -136.21 114.84 11.93 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 103.175 -2.898 . . . . 0.0 103.175 156.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.03 134.77 35.38 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 118.108 -0.948 . . . . 0.0 112.412 -151.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.414 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -97.75 123.48 41.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.18 1.392 . . . . 0.0 107.5 167.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -95.26 83.77 3.93 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 112.801 -2.0 . . . . 0.0 107.564 159.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.99 177.96 6.03 Favored 'General case' 0 CA--C 1.583 2.22 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -159.344 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.27 42.74 0.14 Allowed Glycine 0 CA--C 1.546 2.0 0 CA-C-N 122.073 2.215 . . . . 0.0 117.2 -171.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -125.55 -40.32 2.09 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.26 1.53 . . . . 0.0 111.749 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -67.27 -10.92 55.55 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -110.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.7 m -73.04 -26.03 61.15 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 161.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.67 86.46 2.72 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.279 1.399 . . . . 0.0 112.024 -161.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.405 ' HB3' HE21 ' A' ' 23' ' ' GLN . 39.4 m -66.51 2.06 1.44 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 119.826 3.269 . . . . 0.0 119.826 -179.503 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -34.92 -19.33 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 161.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.301 94.3 m -85.86 -70.98 0.56 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 125.955 1.702 . . . . 0.0 111.043 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.405 HE21 ' HB3' ' A' ' 20' ' ' SER . 4.3 mt-30 -13.57 146.46 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 130.336 3.455 . . . . 0.0 117.163 153.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.8 tpp85 -130.22 -68.04 0.72 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.103 0 O-C-N 118.427 -2.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.7 m170 . . . . . 0 CA--C 1.611 3.321 0 CA-C-O 114.768 -2.539 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.6 t -64.02 -43.44 95.6 Favored 'General case' 0 N--CA 1.514 2.727 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 170.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.41 0.85 23.2 Favored 'General case' 0 N--CA 1.531 3.616 0 N-CA-C 121.237 3.791 . . . . 0.0 121.237 -156.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.452 HD12 ' H ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -91.04 173.26 8.04 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 126.549 1.94 . . . . 0.0 109.447 -171.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.452 ' H ' HD12 ' A' ' 6' ' ' LEU . 85.3 m-85 76.73 -3.49 2.51 Favored 'General case' 0 N--CA 1.518 2.948 0 C-N-CA 128.999 2.919 . . . . 0.0 116.209 173.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.66 -0.53 89.3 Favored Glycine 0 CA--C 1.55 2.23 0 N-CA-C 119.499 2.56 . . . . 0.0 119.499 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -137.76 121.32 17.27 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 104.485 -2.413 . . . . 0.0 104.485 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.29 139.69 36.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 118.867 0.758 . . . . 0.0 112.642 -159.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.42 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -93.58 121.77 35.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.813 1.645 . . . . 0.0 107.714 163.75 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -101.19 84.52 2.66 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 112.452 -2.158 . . . . 0.0 107.186 163.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -177.61 3.57 Favored 'General case' 0 CA--C 1.59 2.484 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -158.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.8 40.67 0.08 OUTLIER Glycine 0 CA--C 1.544 1.869 0 CA-C-N 122.513 2.415 . . . . 0.0 118.228 -167.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 51.0 t -125.45 -39.27 2.19 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 119.156 1.478 . . . . 0.0 112.217 -177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -72.56 -1.86 17.6 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 120.33 3.455 . . . . 0.0 120.33 -110.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.1 m -72.77 -24.63 60.97 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 157.448 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.03 85.22 0.71 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 121.528 1.967 . . . . 0.0 113.609 -158.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.688 ' HG ' ' HB2' ' A' ' 23' ' ' GLN . 30.7 t -66.83 2.39 1.43 Allowed 'General case' 0 N--CA 1.526 3.348 0 N-CA-C 121.634 3.939 . . . . 0.0 121.634 177.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 t -32.36 -28.57 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.309 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 141.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.312 95.2 m -95.35 -74.77 0.54 Allowed 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.909 1.283 . . . . 0.0 110.086 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.688 ' HB2' ' HG ' ' A' ' 20' ' ' SER . 15.8 mm-40 -11.95 148.25 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 130.485 3.514 . . . . 0.0 117.263 153.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -129.01 -60.65 1.07 Allowed 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 124.546 1.138 . . . . 0.0 109.715 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.166 0 O-C-N 118.074 -2.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 55.0 m170 . . . . . 0 CA--C 1.597 2.784 0 CA-C-O 114.591 -2.623 . . . . 0.0 112.65 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.48 -41.85 79.55 Favored 'General case' 0 N--CA 1.519 2.993 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 169.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.9 7.11 36.06 Favored 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 120.584 3.55 . . . . 0.0 120.584 -157.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -79.57 144.6 33.73 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.125 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -95.79 -30.99 13.4 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 -127.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.94 -35.24 58.21 Favored Glycine 0 CA--C 1.554 2.513 0 CA-C-O 115.781 -2.677 . . . . 0.0 117.828 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -141.59 132.83 26.44 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 121.514 2.657 . . . . 0.0 106.467 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.5 132.54 40.83 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.09 128.57 52.71 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 169.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.09 83.53 1.8 Allowed 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 126.335 1.854 . . . . 0.0 106.664 156.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.18 176.02 5.81 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -160.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.95 42.75 0.16 Allowed Glycine 0 CA--C 1.547 2.087 0 CA-C-N 121.998 2.181 . . . . 0.0 117.184 -173.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.419 ' SG ' ' HB1' ' A' ' 19' ' ' ALA . 44.4 t -126.89 -37.96 2.07 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 119.268 1.534 . . . . 0.0 112.201 -176.102 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -70.95 -2.1 14.13 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -110.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -65.34 -43.48 90.79 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 151.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.419 ' HB1' ' SG ' ' A' ' 16' ' ' CYS . . . -79.13 87.21 4.89 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.256 1.503 . . . . 0.0 110.216 -163.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.1 p -29.98 -57.21 0.18 Allowed 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -7.88 60.22 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 129.695 3.198 . . . . 0.0 119.195 -164.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 61.1 m -142.7 -52.39 0.39 Allowed 'General case' 0 CA--C 1.585 2.293 0 CA-C-N 111.499 -2.591 . . . . 0.0 113.256 -175.022 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.426 ' H ' ' HG3' ' A' ' 23' ' ' GLN . 0.0 OUTLIER -139.07 145.12 39.15 Favored 'General case' 0 N--CA 1.487 1.394 2 CA-C-N 129.529 5.604 . . . . 0.0 110.911 -31.496 . . . . . . . . 4 4 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 50.3 106.78 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 126.868 2.067 . . . . 0.0 112.402 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 120.041 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.2 m170 . . . . . 0 CA--C 1.598 2.805 0 CA-C-O 114.598 -2.62 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -64.07 -36.9 85.51 Favored 'General case' 0 N--CA 1.516 2.842 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 t -105.67 -7.04 18.7 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 122.302 4.186 . . . . 0.0 122.302 -166.405 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.479 ' CD1' ' H ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -94.74 170.29 9.55 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 126.349 1.86 . . . . 0.0 109.102 -171.199 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.479 ' H ' ' CD1' ' A' ' 6' ' ' LEU . 85.9 m-85 75.39 -8.94 1.48 Allowed 'General case' 0 N--CA 1.517 2.92 0 C-N-CA 128.771 2.828 . . . . 0.0 116.47 173.187 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.38 53.18 Favored Glycine 0 CA--C 1.552 2.374 0 CA-C-O 116.627 -2.207 . . . . 0.0 117.944 169.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.86 128.98 29.58 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.2 2.0 . . . . 0.0 105.914 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.51 115.15 12.56 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 119.272 0.942 . . . . 0.0 112.413 -168.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.408 ' H ' ' HD2' ' A' ' 11' ' ' ARG . 0.0 OUTLIER -105.58 131.14 53.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.656 1.582 . . . . 0.0 107.933 173.333 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -112.81 86.6 2.4 Favored 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.171 2.188 . . . . 0.0 106.87 161.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.62 -179.55 4.26 Favored 'General case' 0 CA--C 1.59 2.509 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -159.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.04 38.21 0.09 OUTLIER Glycine 0 CA--C 1.546 1.987 0 CA-C-N 122.589 2.45 . . . . 0.0 118.31 -170.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.444 ' SG ' ' HB1' ' A' ' 19' ' ' ALA . 53.3 t -120.53 -37.73 2.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 119.168 1.484 . . . . 0.0 111.878 -176.525 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.4 t -74.7 2.4 10.05 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -109.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -64.74 -44.27 90.66 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 149.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.444 ' HB1' ' SG ' ' A' ' 16' ' ' CYS . . . -78.57 88.16 4.51 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-O 123.805 1.764 . . . . 0.0 109.913 -165.038 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -37.87 -59.41 0.83 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 112.999 -1.909 . . . . 0.0 114.368 158.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 t 15.69 45.78 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.021 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.409 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 79.0 m -140.89 -53.06 0.48 Allowed 'General case' 0 CA--C 1.583 2.241 0 CA-C-O 115.502 -2.189 . . . . 0.0 113.687 -169.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.409 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -137.42 145.88 43.7 Favored 'General case' 0 N--CA 1.488 1.429 2 CA-C-N 129.289 5.495 . . . . 0.0 111.001 -35.48 . . . . . . . . 4 4 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -138.88 117.74 12.38 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 104.555 -2.387 . . . . 0.0 104.555 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 119.651 -1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 49.2 m170 . . . . . 0 CA--C 1.596 2.731 0 CA-C-O 114.712 -2.566 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 8.7 t -75.28 -41.1 57.94 Favored 'General case' 0 N--CA 1.516 2.871 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 167.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.33 3.18 55.54 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 120.59 3.552 . . . . 0.0 120.59 -160.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.5 tp -89.38 153.26 20.99 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.568 -165.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 67.64 -6.0 0.73 Allowed 'General case' 0 N--CA 1.523 3.189 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.96 86.77 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 119.309 2.484 . . . . 0.0 119.309 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -122.34 120.05 32.89 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 168.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.18 153.15 39.62 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 117.926 -1.035 . . . . 0.0 113.544 -157.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -100.2 122.33 42.84 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.267 12.9 ptm180 -91.2 74.06 6.23 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 125.508 1.523 . . . . 0.0 109.731 164.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.2 164.1 25.23 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 113.882 -2.961 . . . . 0.0 118.332 -173.285 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.58 55.45 5.02 Favored Glycine 0 CA--C 1.544 1.865 0 N-CA-C 117.955 1.942 . . . . 0.0 117.955 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.5 t -77.65 -34.85 52.97 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.217 1.407 . . . . 0.0 113.542 151.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -73.29 -10.09 59.39 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 118.975 2.954 . . . . 0.0 118.975 -111.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 m -73.07 -16.8 61.47 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 164.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 88.52 0.06 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.472 1.509 . . . . 0.0 113.891 -165.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.548 ' HG ' ' HB2' ' A' ' 23' ' ' GLN . 47.0 t -69.8 8.66 0.65 Allowed 'General case' 0 N--CA 1.527 3.396 0 N-CA-C 120.983 3.697 . . . . 0.0 120.983 179.296 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.2 t -27.29 -34.73 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.538 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 127.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 76.1 m -109.13 -73.16 0.7 Allowed 'General case' 0 CA--C 1.568 1.666 0 C-N-CA 124.855 1.262 . . . . 0.0 109.86 -166.664 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.548 ' HB2' ' HG ' ' A' ' 20' ' ' SER . 7.2 mm100 -8.73 147.73 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 130.379 3.472 . . . . 0.0 117.438 149.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -135.59 117.07 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 119.677 -1.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.522 3.17 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.1 t -105.02 -1.0 26.26 Favored 'General case' 0 N--CA 1.531 3.596 0 N-CA-C 121.476 3.88 . . . . 0.0 121.476 -163.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.9 tp -91.5 150.32 21.27 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.388 1.475 . . . . 0.0 110.226 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 67.57 -9.42 0.43 Allowed 'General case' 0 N--CA 1.52 3.042 0 N-CA-C 118.934 2.938 . . . . 0.0 118.934 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.17 18.45 74.86 Favored Glycine 0 CA--C 1.557 2.673 0 CA-C-O 116.46 -2.3 . . . . 0.0 118.539 -175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -103.0 124.76 49.12 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 176.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.94 117.51 12.53 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -164.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.48 127.09 54.26 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.17 86.64 2.33 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.457 1.903 . . . . 0.0 106.341 157.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.58 2.128 0 CA-C-O 114.527 -2.654 . . . . 0.0 116.346 -162.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.046 0 N-CA-C 118.676 2.23 . . . . 0.0 118.676 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 36.8 t -84.43 -30.37 25.38 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.038 1.735 . . . . 0.0 113.516 158.338 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -79.2 3.67 17.11 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 118.967 2.951 . . . . 0.0 118.967 -108.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -63.09 -42.82 99.68 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 149.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.61 86.77 4.58 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-O 123.436 1.588 . . . . 0.0 109.31 -169.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -32.33 -61.35 0.26 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 113.214 -1.812 . . . . 0.0 115.743 162.159 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.9 t 19.9 40.37 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 -171.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.327 77.2 m -123.53 -77.93 0.6 Allowed 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -178.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 131.768 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.323 0.6 OUTLIER . . . . . 0 CA--C 1.56 1.36 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.02 2.6 1.99 Allowed 'General case' 0 N--CA 1.538 3.952 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -164.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 tp -89.36 151.29 22.14 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 127.51 2.324 . . . . 0.0 110.161 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.263 79.7 m-85 69.22 -16.72 0.23 Allowed 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -175.506 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.15 17.03 17.01 Favored Glycine 0 CA--C 1.551 2.327 0 CA-C-O 116.348 -2.362 . . . . 0.0 118.101 164.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -135.88 130.03 33.21 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-N 120.454 2.127 . . . . 0.0 106.244 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.301 5.9 m -90.55 128.72 36.66 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.06 -155.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 155.56 40.49 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.781 1.633 . . . . 0.0 109.203 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.255 11.1 ptt180 -120.26 73.09 0.97 Allowed 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 127.535 2.334 . . . . 0.0 110.54 173.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.589 2.472 0 CA-C-O 114.74 -2.552 . . . . 0.0 117.638 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.817 0 N-CA-C 117.05 1.58 . . . . 0.0 117.05 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -114.94 -37.24 4.21 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 126.425 1.89 . . . . 0.0 112.273 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -80.75 4.9 17.4 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.74 2.867 . . . . 0.0 118.74 -106.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -71.65 -6.56 41.94 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 160.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.06 92.56 0.39 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 124.335 2.017 . . . . 0.0 113.683 -162.792 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.3 p -50.39 -44.02 54.78 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 111.542 -2.572 . . . . 0.0 116.381 151.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 t -48.73 16.37 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 -163.449 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.264 3.9 t -68.63 -61.52 1.79 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.134 1.374 . . . . 0.0 113.152 149.599 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 CA--C 1.567 1.61 0 C-N-CA 130.103 3.361 . . . . 0.0 116.258 145.301 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.515 1.8 m . . . . . 0 CA--C 1.571 1.755 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -94.91 15.32 18.96 Favored 'General case' 0 N--CA 1.534 3.749 0 N-CA-C 119.889 3.292 . . . . 0.0 119.889 -169.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.27 140.7 55.75 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 127.258 2.223 . . . . 0.0 111.728 -172.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -28.04 -46.4 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.037 1 N-CA-C 122.998 4.444 . . . . 0.0 122.998 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.43 -37.65 6.13 Favored Glycine 0 CA--C 1.551 2.314 0 CA-C-O 115.977 -2.568 . . . . 0.0 114.092 -166.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -151.55 138.61 19.14 Favored 'General case' 0 N--CA 1.515 2.806 0 CA-C-N 121.212 2.506 . . . . 0.0 106.928 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.92 81.77 8.4 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.304 0.573 . . . . 0.0 111.813 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -57.6 142.34 45.06 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.523 2.329 . . . . 0.0 113.452 147.192 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -122.98 81.94 1.93 Allowed 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 128.001 2.52 . . . . 0.0 107.383 171.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 11' ' ' ARG . 0.5 OUTLIER . . . . . 0 CA--C 1.591 2.527 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.718 0 N-CA-C 119.875 2.71 . . . . 0.0 119.875 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' CD1' ' A' ' 13' ' ' TYR 0.328 17.8 m -139.94 -66.0 0.46 Allowed 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 119.308 1.554 . . . . 0.0 107.046 -139.735 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 t -76.36 -1.73 28.28 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 119.297 3.073 . . . . 0.0 119.297 -94.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.7 m -70.84 -3.86 21.19 Favored 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 156.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.24 80.68 0.09 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -157.516 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -76.22 11.2 1.6 Allowed 'General case' 0 N--CA 1.528 3.449 0 N-CA-C 120.825 3.639 . . . . 0.0 120.825 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.9 t -33.07 -29.01 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.543 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 141.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.3 0.5 OUTLIER -102.79 -76.43 0.58 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 126.05 1.74 . . . . 0.0 111.22 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 . . . . . 0 CA--C 1.567 1.622 0 C-N-CA 131.019 3.728 . . . . 0.0 117.39 156.728 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 14.6 t . . . . . 0 N--CA 1.521 3.092 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.97 -4.82 10.59 Favored 'General case' 0 N--CA 1.527 3.383 1 N-CA-C 122.182 4.141 . . . . 0.0 122.182 -165.332 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.597 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -93.94 170.72 9.34 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 126.195 1.798 . . . . 0.0 109.15 -168.072 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.597 ' H ' HD13 ' A' ' 6' ' ' LEU . 86.5 m-85 76.74 -12.65 1.02 Allowed 'General case' 0 N--CA 1.516 2.863 0 C-N-CA 128.787 2.835 . . . . 0.0 116.129 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.73 -5.55 10.62 Favored Glycine 0 CA--C 1.549 2.213 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 160.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.02 133.1 29.53 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.293 2.9 m -84.82 115.01 22.5 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.79 0.836 . . . . 0.0 112.681 -158.702 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -89.69 122.51 32.87 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.844 1.658 . . . . 0.0 108.4 173.506 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -97.64 85.31 3.56 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 126.783 2.033 . . . . 0.0 107.406 162.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.585 2.315 0 CA-C-O 114.519 -2.658 . . . . 0.0 116.297 -164.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.159 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 28.6 t -80.48 -28.72 37.47 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 125.856 1.662 . . . . 0.0 114.642 155.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -78.02 4.46 12.18 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.759 2.874 . . . . 0.0 118.759 -107.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.4 m -69.69 -30.33 67.96 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 115.246 -2.311 . . . . 0.0 116.036 152.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.664 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.78 88.01 4.64 Favored 'General case' 0 C--N 1.372 1.586 0 CA-C-N 121.58 1.991 . . . . 0.0 110.624 -167.414 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 p -42.81 -62.21 1.07 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 112.882 -1.963 . . . . 0.0 114.83 163.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.276 30.5 t 19.77 34.62 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.488 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 8.2 t -140.26 -26.08 0.77 Allowed 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 117.755 2.502 . . . . 0.0 117.755 -176.47 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.488 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 CA-C-N 124.959 3.527 . . . . 0.0 110.981 -55.812 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.406 1.7 p . . . . . 0 CA--C 1.574 1.897 0 N-CA-C 119.547 3.166 . . . . 0.0 119.547 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.1 t -69.48 11.51 0.24 Allowed 'General case' 1 N--CA 1.541 4.098 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 -158.675 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.587 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -123.84 171.3 9.76 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.736 -155.03 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.587 ' H ' HD13 ' A' ' 6' ' ' LEU . 86.6 m-85 70.72 1.37 3.68 Favored 'General case' 0 N--CA 1.522 3.141 0 C-N-CA 128.371 2.669 . . . . 0.0 116.298 174.001 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.57 27.48 71.08 Favored Glycine 0 CA--C 1.557 2.684 0 CA-C-O 116.32 -2.378 . . . . 0.0 118.67 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -132.82 142.47 48.99 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 120.788 2.294 . . . . 0.0 105.741 177.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.357 37.6 m -87.18 108.75 19.05 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.942 1.297 . . . . 0.0 112.613 -168.85 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.05 151.68 37.8 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.849 1.309 . . . . 0.0 107.587 175.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.254 10.4 ptm180 -134.21 77.63 1.71 Allowed 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 126.962 2.105 . . . . 0.0 108.277 164.683 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.588 2.438 0 CA-C-O 115.133 -2.365 . . . . 0.0 117.069 -160.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.214 0 N-CA-C 119.219 2.447 . . . . 0.0 119.219 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 6.6 t -140.95 -20.2 0.8 Allowed 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 120.846 2.323 . . . . 0.0 115.8 -161.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -71.89 10.88 0.61 Allowed 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 120.633 3.568 . . . . 0.0 120.633 -123.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.9 m -66.17 2.94 0.99 Allowed 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 149.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -61.03 85.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.797 2.039 . . . . 0.0 116.243 -156.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.2 m -79.39 -8.94 59.46 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 118.574 2.805 . . . . 0.0 118.574 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -30.75 -23.41 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 121.041 3.719 . . . . 0.0 121.041 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.263 1.2 m -97.99 -55.57 2.75 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.01 1.724 . . . . 0.0 114.232 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 CA--C 1.569 1.683 0 C-N-CA 129.389 3.075 . . . . 0.0 117.15 151.521 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.316 0.6 OUTLIER . . . . . 0 CA--C 1.572 1.812 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.13 10.18 2.09 Favored 'General case' 0 N--CA 1.536 3.839 0 N-CA-C 120.425 3.491 . . . . 0.0 120.425 -157.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.43 145.38 25.7 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.259 -163.37 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 68.71 -5.76 0.94 Allowed 'General case' 0 N--CA 1.519 2.987 0 C-N-CA 128.944 2.898 . . . . 0.0 118.726 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.01 27.92 69.52 Favored Glycine 0 CA--C 1.56 2.87 0 CA-C-O 116.359 -2.356 . . . . 0.0 117.759 -172.422 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -97.44 139.99 32.55 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.702 2.251 . . . . 0.0 105.259 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.28 90.47 2.61 Favored 'General case' 0 CA--C 1.567 1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 113.184 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 136.64 54.94 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.219 1.408 . . . . 0.0 108.277 161.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 64.46 1.56 Allowed 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 128.655 2.782 . . . . 0.0 110.692 175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.592 2.562 0 CA-C-O 115.457 -2.211 . . . . 0.0 116.806 -136.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.089 0 N-CA-C 119.04 2.376 . . . . 0.0 119.04 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 7.2 t -139.76 -17.84 0.96 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 120.584 2.192 . . . . 0.0 115.717 -163.262 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -78.98 19.38 0.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 119.75 3.241 . . . . 0.0 119.75 -121.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.93 -14.88 57.17 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 146.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.548 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -70.82 102.18 2.29 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.207 1.803 . . . . 0.0 111.213 -172.035 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.3 p -44.52 -67.12 0.31 Allowed 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 112.153 -2.294 . . . . 0.0 113.367 157.278 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.258 64.6 m 20.11 41.85 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 173.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.629 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 87.3 m -145.32 -49.43 0.24 Allowed 'General case' 0 CA--C 1.582 2.211 0 CA-C-O 115.311 -2.28 . . . . 0.0 113.05 -172.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.629 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 2 CA-C-N 129.519 5.599 . . . . 0.0 111.089 -31.551 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.516 2.825 0 N-CA-C 117.098 2.258 . . . . 0.0 117.098 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.0 6.41 41.14 Favored 'General case' 0 N--CA 1.535 3.784 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -166.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 tp -125.99 153.23 44.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.451 -155.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.327 80.6 m-85 81.45 -19.73 0.41 Allowed 'General case' 0 N--CA 1.519 2.995 0 C-N-CA 129.605 3.162 . . . . 0.0 118.353 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.01 5.84 37.72 Favored Glycine 0 CA--C 1.55 2.274 0 N-CA-C 119.192 2.437 . . . . 0.0 119.192 159.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -123.39 123.5 40.82 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 170.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.87 93.61 0.27 Allowed 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -161.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.1 126.59 0.26 Allowed 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 128.343 2.657 . . . . 0.0 115.265 146.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -136.99 83.82 2.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 127.193 2.197 . . . . 0.0 107.101 161.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.583 2.212 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -162.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.062 0 CA-C-O 117.353 -1.804 . . . . 0.0 116.968 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.57 -41.4 2.27 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 119.072 1.436 . . . . 0.0 111.778 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -68.38 -7.11 28.55 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 120.716 3.598 . . . . 0.0 120.716 -108.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -72.45 -28.36 62.89 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 158.724 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.37 83.25 3.81 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 121.001 1.728 . . . . 0.0 113.014 -160.434 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -71.8 16.45 0.12 Allowed 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 121.12 3.748 . . . . 0.0 121.12 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.9 t -14.2 -36.71 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 119.871 3.286 . . . . 0.0 119.871 153.033 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -106.57 -72.23 0.72 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 125.81 1.644 . . . . 0.0 112.952 -167.289 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 . . . . . 0 CA--C 1.569 1.674 0 C-N-CA 129.457 3.103 . . . . 0.0 118.73 149.229 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.34 0.8 OUTLIER . . . . . 0 CA--C 1.571 1.751 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.7 -1.85 10.22 Favored 'General case' 0 N--CA 1.534 3.743 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -162.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -71.97 169.06 16.7 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 127.073 2.149 . . . . 0.0 111.853 163.084 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.557 ' H ' HD13 ' A' ' 6' ' ' LEU . 80.3 m-85 76.49 -7.49 1.82 Allowed 'General case' 0 N--CA 1.515 2.79 0 C-N-CA 128.959 2.904 . . . . 0.0 116.248 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.22 77.41 Favored Glycine 0 CA--C 1.555 2.553 0 CA-C-O 116.572 -2.238 . . . . 0.0 118.239 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -139.55 152.35 46.83 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 120.348 2.074 . . . . 0.0 106.815 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.33 64.9 m -84.78 96.06 9.15 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 125.044 1.337 . . . . 0.0 114.313 -160.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -116.25 136.68 52.79 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.488 1.915 . . . . 0.0 108.092 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -129.64 80.69 1.98 Allowed 'General case' 0 CA--C 1.57 1.75 0 C-N-CA 128.071 2.548 . . . . 0.0 108.299 171.476 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.592 2.573 0 CA-C-O 114.753 -2.546 . . . . 0.0 117.283 -162.108 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.861 0 N-CA-C 116.804 1.482 . . . . 0.0 116.804 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 37.2 t -123.52 -35.1 2.97 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.514 1.926 . . . . 0.0 112.795 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.5 p -78.94 8.14 6.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.323 3.083 . . . . 0.0 119.323 -107.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -68.45 -14.87 63.3 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 157.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -72.37 88.13 1.18 Allowed 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 121.122 1.783 . . . . 0.0 113.519 -163.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -71.75 -11.24 60.72 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.5 p -48.0 -4.43 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 120.38 3.474 . . . . 0.0 120.38 -171.36 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.26 35.9 t -76.64 -74.04 0.26 Allowed 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 125.986 1.714 . . . . 0.0 112.67 167.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 . . . . . 0 CA--C 1.567 1.611 0 C-N-CA 130.969 3.708 . . . . 0.0 117.48 154.664 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.521 3.098 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -114.67 161.89 17.53 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 122.021 0.915 . . . . 0.0 110.572 175.288 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.8 173.7 11.3 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -20.55 23.65 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 166.732 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.57 -44.94 0.03 OUTLIER Glycine 0 CA--C 1.557 2.686 0 CA-C-O 115.361 -2.911 . . . . 0.0 118.785 -154.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -142.63 152.23 42.27 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.722 3.261 . . . . 0.0 108.559 -168.001 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.35 63.7 m -90.73 139.79 30.39 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -163.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 127.22 34.64 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 159.42 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -110.99 86.05 2.24 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 127.101 2.16 . . . . 0.0 106.547 162.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.587 2.374 0 CA-C-O 114.823 -2.513 . . . . 0.0 116.559 -159.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.966 0 N-CA-C 118.329 2.092 . . . . 0.0 118.329 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 18.2 t -99.21 -32.18 11.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.588 1.955 . . . . 0.0 113.169 164.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -79.08 6.4 9.6 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -106.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.4 p -63.6 -44.73 93.14 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 148.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.79 88.24 4.65 Favored 'General case' 0 C--N 1.366 1.294 0 CA-C-O 123.278 1.513 . . . . 0.0 110.641 -163.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -64.13 0.87 Allowed 'General case' 0 N--CA 1.511 2.587 0 CA-C-N 113.414 -1.721 . . . . 0.0 112.754 168.401 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 21' ' ' CYS 0.281 12.3 t 19.75 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.881 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -163.338 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.275 1.3 t -134.98 -91.85 0.31 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -172.32 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 . . . . . 0 CA--C 1.57 1.721 0 C-N-CA 129.012 2.925 . . . . 0.0 118.533 140.36 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.516 2.869 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -1.0 25.04 Favored 'General case' 0 N--CA 1.529 3.51 0 N-CA-C 120.998 3.703 . . . . 0.0 120.998 -163.33 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 tt -94.06 145.98 24.28 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.054 1.742 . . . . 0.0 108.307 -168.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 70.85 -11.77 0.62 Allowed 'General case' 0 N--CA 1.519 2.98 0 C-N-CA 129.005 2.922 . . . . 0.0 118.03 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.76 36.73 41.61 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 156.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -136.21 114.84 11.93 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 103.175 -2.898 . . . . 0.0 103.175 156.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.03 134.77 35.38 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 118.108 -0.948 . . . . 0.0 112.412 -151.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 123.48 41.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.18 1.392 . . . . 0.0 107.5 167.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -95.26 83.77 3.93 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 112.801 -2.0 . . . . 0.0 107.564 159.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.583 2.22 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -159.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 2.0 0 CA-C-O 117.188 -1.895 . . . . 0.0 117.2 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -125.55 -40.32 2.09 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.26 1.53 . . . . 0.0 111.749 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -67.27 -10.92 55.55 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -110.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.7 m -73.04 -26.03 61.15 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 161.009 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.67 86.46 2.72 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.279 1.399 . . . . 0.0 112.024 -161.417 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.4 m -66.51 2.06 1.44 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 119.826 3.269 . . . . 0.0 119.826 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -34.92 -19.33 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 161.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.301 94.3 m -85.86 -70.98 0.56 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 125.955 1.702 . . . . 0.0 111.043 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 . . . . . 0 CA--C 1.567 1.599 0 C-N-CA 130.336 3.455 . . . . 0.0 117.163 153.972 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.514 2.727 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.41 0.85 23.2 Favored 'General case' 0 N--CA 1.531 3.616 0 N-CA-C 121.237 3.791 . . . . 0.0 121.237 -156.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.576 HD13 ' H ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -91.04 173.26 8.04 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 126.549 1.94 . . . . 0.0 109.447 -171.883 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.576 ' H ' HD13 ' A' ' 6' ' ' LEU . 85.3 m-85 76.73 -3.49 2.51 Favored 'General case' 0 N--CA 1.518 2.948 0 C-N-CA 128.999 2.919 . . . . 0.0 116.209 173.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.66 -0.53 89.3 Favored Glycine 0 CA--C 1.55 2.23 0 N-CA-C 119.499 2.56 . . . . 0.0 119.499 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -137.76 121.32 17.27 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 104.485 -2.413 . . . . 0.0 104.485 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.29 139.69 36.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 118.867 0.758 . . . . 0.0 112.642 -159.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.58 121.77 35.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.813 1.645 . . . . 0.0 107.714 163.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -101.19 84.52 2.66 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 112.452 -2.158 . . . . 0.0 107.186 163.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.59 2.484 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -158.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.869 0 N-CA-C 118.228 2.051 . . . . 0.0 118.228 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 51.0 t -125.45 -39.27 2.19 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 119.156 1.478 . . . . 0.0 112.217 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -72.56 -1.86 17.6 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 120.33 3.455 . . . . 0.0 120.33 -110.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.1 m -72.77 -24.63 60.97 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 157.448 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -71.03 85.22 0.71 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 121.528 1.967 . . . . 0.0 113.609 -158.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.7 t -66.83 2.39 1.43 Allowed 'General case' 0 N--CA 1.526 3.348 0 N-CA-C 121.634 3.939 . . . . 0.0 121.634 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 t -32.36 -28.57 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.309 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 141.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.312 95.2 m -95.35 -74.77 0.54 Allowed 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.909 1.283 . . . . 0.0 110.086 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 CA--C 1.567 1.609 0 C-N-CA 130.485 3.514 . . . . 0.0 117.263 153.762 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.519 2.993 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.9 7.11 36.06 Favored 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 120.584 3.55 . . . . 0.0 120.584 -157.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -79.57 144.6 33.73 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.125 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -95.79 -30.99 13.4 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 -127.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.94 -35.24 58.21 Favored Glycine 0 CA--C 1.554 2.513 0 CA-C-O 115.781 -2.677 . . . . 0.0 117.828 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -141.59 132.83 26.44 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 121.514 2.657 . . . . 0.0 106.467 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.5 132.54 40.83 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.09 128.57 52.71 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 169.611 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.09 83.53 1.8 Allowed 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 126.335 1.854 . . . . 0.0 106.664 156.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.583 2.225 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -160.031 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.087 0 CA-C-O 117.281 -1.844 . . . . 0.0 117.184 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 44.4 t -126.89 -37.96 2.07 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 119.268 1.534 . . . . 0.0 112.201 -176.102 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -70.95 -2.1 14.13 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -110.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -65.34 -43.48 90.79 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 151.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -79.13 87.21 4.89 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.256 1.503 . . . . 0.0 110.216 -163.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.1 p -29.98 -57.21 0.18 Allowed 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -7.88 60.22 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 129.695 3.198 . . . . 0.0 119.195 -164.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.542 ' H ' ' CG ' ' A' ' 23' ' ' GLN . 61.1 m -142.7 -52.39 0.39 Allowed 'General case' 0 CA--C 1.585 2.293 0 CA-C-N 111.499 -2.591 . . . . 0.0 113.256 -175.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.542 ' CG ' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 2 CA-C-N 129.529 5.604 . . . . 0.0 110.911 -31.496 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.516 2.842 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 t -105.67 -7.04 18.7 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 122.302 4.186 . . . . 0.0 122.302 -166.405 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -94.74 170.29 9.55 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 126.349 1.86 . . . . 0.0 109.102 -171.199 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.586 ' H ' HD13 ' A' ' 6' ' ' LEU . 85.9 m-85 75.39 -8.94 1.48 Allowed 'General case' 0 N--CA 1.517 2.92 0 C-N-CA 128.771 2.828 . . . . 0.0 116.47 173.187 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.38 53.18 Favored Glycine 0 CA--C 1.552 2.374 0 CA-C-O 116.627 -2.207 . . . . 0.0 117.944 169.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.86 128.98 29.58 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.2 2.0 . . . . 0.0 105.914 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.51 115.15 12.56 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 119.272 0.942 . . . . 0.0 112.413 -168.314 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.58 131.14 53.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.656 1.582 . . . . 0.0 107.933 173.333 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -112.81 86.6 2.4 Favored 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.171 2.188 . . . . 0.0 106.87 161.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.59 2.509 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -159.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.987 0 N-CA-C 118.31 2.084 . . . . 0.0 118.31 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 53.3 t -120.53 -37.73 2.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 119.168 1.484 . . . . 0.0 111.878 -176.525 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.4 t -74.7 2.4 10.05 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -109.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -64.74 -44.27 90.66 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 149.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.57 88.16 4.51 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-O 123.805 1.764 . . . . 0.0 109.913 -165.038 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -37.87 -59.41 0.83 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 112.999 -1.909 . . . . 0.0 114.368 158.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 t 15.69 45.78 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.021 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.625 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 79.0 m -140.89 -53.06 0.48 Allowed 'General case' 0 CA--C 1.583 2.241 0 CA-C-O 115.502 -2.189 . . . . 0.0 113.687 -169.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.625 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.429 2 CA-C-N 129.289 5.495 . . . . 0.0 111.001 -35.48 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 8.7 t . . . . . 0 N--CA 1.516 2.871 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.33 3.18 55.54 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 120.59 3.552 . . . . 0.0 120.59 -160.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.5 tp -89.38 153.26 20.99 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.568 -165.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 67.64 -6.0 0.73 Allowed 'General case' 0 N--CA 1.523 3.189 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.96 86.77 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 119.309 2.484 . . . . 0.0 119.309 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -122.34 120.05 32.89 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 168.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.18 153.15 39.62 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 117.926 -1.035 . . . . 0.0 113.544 -157.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -100.2 122.33 42.84 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.267 12.9 ptm180 -91.2 74.06 6.23 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 125.508 1.523 . . . . 0.0 109.731 164.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.573 1.85 0 CA-C-O 113.882 -2.961 . . . . 0.0 118.332 -173.285 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.865 0 N-CA-C 117.955 1.942 . . . . 0.0 117.955 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.5 t -77.65 -34.85 52.97 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.217 1.407 . . . . 0.0 113.542 151.096 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -73.29 -10.09 59.39 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 118.975 2.954 . . . . 0.0 118.975 -111.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 m -73.07 -16.8 61.47 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 164.555 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 88.52 0.06 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.472 1.509 . . . . 0.0 113.891 -165.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t -69.8 8.66 0.65 Allowed 'General case' 0 N--CA 1.527 3.396 0 N-CA-C 120.983 3.697 . . . . 0.0 120.983 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.2 t -27.29 -34.73 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.538 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 127.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 76.1 m -109.13 -73.16 0.7 Allowed 'General case' 0 CA--C 1.568 1.666 0 C-N-CA 124.855 1.262 . . . . 0.0 109.86 -166.664 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 . . . . . 0 CA--C 1.568 1.655 0 C-N-CA 130.379 3.472 . . . . 0.0 117.438 149.775 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 CA--C 1.611 3.302 0 CA-C-O 114.906 -2.473 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t -61.74 -34.46 75.86 Favored 'General case' 0 N--CA 1.522 3.17 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 173.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.1 t -105.02 -1.0 26.26 Favored 'General case' 0 N--CA 1.531 3.596 0 N-CA-C 121.476 3.88 . . . . 0.0 121.476 -163.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.9 tp -91.5 150.32 21.27 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.388 1.475 . . . . 0.0 110.226 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 67.57 -9.42 0.43 Allowed 'General case' 0 N--CA 1.52 3.042 0 N-CA-C 118.934 2.938 . . . . 0.0 118.934 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.17 18.45 74.86 Favored Glycine 0 CA--C 1.557 2.673 0 CA-C-O 116.46 -2.3 . . . . 0.0 118.539 -175.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -103.0 124.76 49.12 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 176.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.94 117.51 12.53 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -164.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.48 127.09 54.26 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.17 86.64 2.33 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.457 1.903 . . . . 0.0 106.341 157.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.28 168.44 15.49 Favored 'General case' 0 CA--C 1.58 2.128 0 CA-C-O 114.527 -2.654 . . . . 0.0 116.346 -162.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.1 52.23 8.05 Favored Glycine 0 CA--C 1.547 2.046 0 N-CA-C 118.676 2.23 . . . . 0.0 118.676 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 36.8 t -84.43 -30.37 25.38 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.038 1.735 . . . . 0.0 113.516 158.338 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -79.2 3.67 17.11 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 118.967 2.951 . . . . 0.0 118.967 -108.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -63.09 -42.82 99.68 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 149.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.61 86.77 4.58 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-O 123.436 1.588 . . . . 0.0 109.31 -169.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -32.33 -61.35 0.26 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 113.214 -1.812 . . . . 0.0 115.743 162.159 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.9 t 19.9 40.37 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 -171.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.327 77.2 m -123.53 -77.93 0.6 Allowed 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -178.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 5.39 142.3 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 131.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -134.3 110.72 9.68 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 103.258 -2.867 . . . . 0.0 103.258 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 120.134 -1.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.3 m170 . . . . . 0 CA--C 1.601 2.94 0 CA-C-O 114.429 -2.701 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.323 0.6 OUTLIER -64.26 -46.35 84.1 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.02 2.6 1.99 Allowed 'General case' 0 N--CA 1.538 3.952 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -164.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 tp -89.36 151.29 22.14 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 127.51 2.324 . . . . 0.0 110.161 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.263 79.7 m-85 69.22 -16.72 0.23 Allowed 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -175.506 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.15 17.03 17.01 Favored Glycine 0 CA--C 1.551 2.327 0 CA-C-O 116.348 -2.362 . . . . 0.0 118.101 164.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -135.88 130.03 33.21 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-N 120.454 2.127 . . . . 0.0 106.244 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.301 5.9 m -90.55 128.72 36.66 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.06 -155.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 155.56 40.49 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.781 1.633 . . . . 0.0 109.203 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.255 11.1 ptt180 -120.26 73.09 0.97 Allowed 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 127.535 2.334 . . . . 0.0 110.54 173.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -114.7 177.12 4.76 Favored 'General case' 0 CA--C 1.589 2.472 0 CA-C-O 114.74 -2.552 . . . . 0.0 117.638 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.97 58.86 3.32 Favored Glycine 0 CA--C 1.543 1.817 0 CA-C-N 111.886 -2.416 . . . . 0.0 117.05 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -114.94 -37.24 4.21 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 126.425 1.89 . . . . 0.0 112.273 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -80.75 4.9 17.4 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.74 2.867 . . . . 0.0 118.74 -106.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -71.65 -6.56 41.94 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 160.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.06 92.56 0.39 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 124.335 2.017 . . . . 0.0 113.683 -162.792 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.3 p -50.39 -44.02 54.78 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 111.542 -2.572 . . . . 0.0 116.381 151.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 t -48.73 16.37 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 -163.449 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.264 3.9 t -68.63 -61.52 1.79 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.134 1.374 . . . . 0.0 113.152 149.599 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -17.29 145.33 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.61 0 C-N-CA 130.103 3.361 . . . . 0.0 116.258 145.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.13 -70.22 0.7 Allowed 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.071 0 O-C-N 118.457 -2.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.3 m170 . . . . . 0 CA--C 1.602 2.954 0 CA-C-O 114.432 -2.699 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.515 1.8 m -68.5 -23.26 64.53 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 176.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -94.91 15.32 18.96 Favored 'General case' 0 N--CA 1.534 3.749 0 N-CA-C 119.889 3.292 . . . . 0.0 119.889 -169.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.27 140.7 55.75 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 127.258 2.223 . . . . 0.0 111.728 -172.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -28.04 -46.4 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.037 1 N-CA-C 122.998 4.444 . . . . 0.0 122.998 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.43 -37.65 6.13 Favored Glycine 0 CA--C 1.551 2.314 0 CA-C-O 115.977 -2.568 . . . . 0.0 114.092 -166.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -151.55 138.61 19.14 Favored 'General case' 0 N--CA 1.515 2.806 0 CA-C-N 121.212 2.506 . . . . 0.0 106.928 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.92 81.77 8.4 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.304 0.573 . . . . 0.0 111.813 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -57.6 142.34 45.06 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.523 2.329 . . . . 0.0 113.452 147.192 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -122.98 81.94 1.93 Allowed 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 128.001 2.52 . . . . 0.0 107.383 171.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.91 -171.95 1.93 Allowed 'General case' 0 CA--C 1.591 2.527 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -170.108 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.35 21.79 0.03 OUTLIER Glycine 0 CA--C 1.557 2.718 0 N-CA-C 119.875 2.71 . . . . 0.0 119.875 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' CD1' ' A' ' 13' ' ' TYR 0.328 17.8 m -139.94 -66.0 0.46 Allowed 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 119.308 1.554 . . . . 0.0 107.046 -139.735 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 t -76.36 -1.73 28.28 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 119.297 3.073 . . . . 0.0 119.297 -94.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.7 m -70.84 -3.86 21.19 Favored 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 156.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.24 80.68 0.09 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -157.516 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -76.22 11.2 1.6 Allowed 'General case' 0 N--CA 1.528 3.449 0 N-CA-C 120.825 3.639 . . . . 0.0 120.825 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.9 t -33.07 -29.01 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.543 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 141.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.3 0.5 OUTLIER -102.79 -76.43 0.58 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 126.05 1.74 . . . . 0.0 111.22 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -11.57 148.69 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 131.019 3.728 . . . . 0.0 117.39 156.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -135.14 117.71 15.9 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 119.733 -1.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 CA--C 1.611 3.314 0 CA-C-O 114.932 -2.461 . . . . 0.0 108.665 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 14.6 t -58.52 -33.58 70.01 Favored 'General case' 0 N--CA 1.521 3.092 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 172.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.97 -4.82 10.59 Favored 'General case' 0 N--CA 1.527 3.383 1 N-CA-C 122.182 4.141 . . . . 0.0 122.182 -165.332 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.597 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -93.94 170.72 9.34 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 126.195 1.798 . . . . 0.0 109.15 -168.072 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.597 ' H ' HD13 ' A' ' 6' ' ' LEU . 86.5 m-85 76.74 -12.65 1.02 Allowed 'General case' 0 N--CA 1.516 2.863 0 C-N-CA 128.787 2.835 . . . . 0.0 116.129 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.73 -5.55 10.62 Favored Glycine 0 CA--C 1.549 2.213 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 160.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.02 133.1 29.53 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.293 2.9 m -84.82 115.01 22.5 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.79 0.836 . . . . 0.0 112.681 -158.702 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -89.69 122.51 32.87 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.844 1.658 . . . . 0.0 108.4 173.506 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -97.64 85.31 3.56 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 126.783 2.033 . . . . 0.0 107.406 162.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.25 173.76 9.49 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-O 114.519 -2.658 . . . . 0.0 116.297 -164.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.26 46.75 40.37 Favored Glycine 0 CA--C 1.549 2.159 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 28.6 t -80.48 -28.72 37.47 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 125.856 1.662 . . . . 0.0 114.642 155.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -78.02 4.46 12.18 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.759 2.874 . . . . 0.0 118.759 -107.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.4 m -69.69 -30.33 67.96 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 115.246 -2.311 . . . . 0.0 116.036 152.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.664 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.78 88.01 4.64 Favored 'General case' 0 C--N 1.372 1.586 0 CA-C-N 121.58 1.991 . . . . 0.0 110.624 -167.414 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 p -42.81 -62.21 1.07 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 112.882 -1.963 . . . . 0.0 114.83 163.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.276 30.5 t 19.77 34.62 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.488 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 8.2 t -140.26 -26.08 0.77 Allowed 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 117.755 2.502 . . . . 0.0 117.755 -176.47 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.488 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -122.85 144.66 49.06 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 124.959 3.527 . . . . 0.0 110.981 -55.812 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.301 19.2 tpp180 61.23 -63.79 0.07 Allowed 'General case' 0 N--CA 1.505 2.317 0 C-N-CA 126.791 2.036 . . . . 0.0 113.944 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 O-C-N 118.728 -2.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.3 m170 . . . . . 0 CA--C 1.603 2.992 0 CA-C-O 114.509 -2.662 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' HYP . . . . . 0.42 ' C ' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.406 1.7 p -54.03 -44.21 70.81 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 119.547 3.166 . . . . 0.0 119.547 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.1 t -69.48 11.51 0.24 Allowed 'General case' 1 N--CA 1.541 4.098 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 -158.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.587 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -123.84 171.3 9.76 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.736 -155.03 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.587 ' H ' HD13 ' A' ' 6' ' ' LEU . 86.6 m-85 70.72 1.37 3.68 Favored 'General case' 0 N--CA 1.522 3.141 0 C-N-CA 128.371 2.669 . . . . 0.0 116.298 174.001 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.57 27.48 71.08 Favored Glycine 0 CA--C 1.557 2.684 0 CA-C-O 116.32 -2.378 . . . . 0.0 118.67 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -132.82 142.47 48.99 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 120.788 2.294 . . . . 0.0 105.741 177.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.357 37.6 m -87.18 108.75 19.05 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.942 1.297 . . . . 0.0 112.613 -168.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.05 151.68 37.8 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.849 1.309 . . . . 0.0 107.587 175.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.254 10.4 ptm180 -134.21 77.63 1.71 Allowed 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 126.962 2.105 . . . . 0.0 108.277 164.683 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' HH ' ' C ' ' A' ' 2' ' ' HYP . 0.3 OUTLIER -110.86 -175.19 2.65 Favored 'General case' 0 CA--C 1.588 2.438 0 CA-C-O 115.133 -2.365 . . . . 0.0 117.069 -160.841 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.83 27.05 0.07 OUTLIER Glycine 0 CA--C 1.549 2.214 0 N-CA-C 119.219 2.447 . . . . 0.0 119.219 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 6.6 t -140.95 -20.2 0.8 Allowed 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 120.846 2.323 . . . . 0.0 115.8 -161.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -71.89 10.88 0.61 Allowed 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 120.633 3.568 . . . . 0.0 120.633 -123.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.9 m -66.17 2.94 0.99 Allowed 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 149.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -61.03 85.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.797 2.039 . . . . 0.0 116.243 -156.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.2 m -79.39 -8.94 59.46 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 118.574 2.805 . . . . 0.0 118.574 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -30.75 -23.41 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 121.041 3.719 . . . . 0.0 121.041 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.263 1.2 m -97.99 -55.57 2.75 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.01 1.724 . . . . 0.0 114.232 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -14.28 145.58 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 129.389 3.075 . . . . 0.0 117.15 151.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -129.35 -67.3 0.77 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.088 0 O-C-N 118.398 -2.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.9 m170 . . . . . 0 CA--C 1.618 3.562 0 CA-C-O 115.223 -2.322 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.316 0.6 OUTLIER -68.17 -58.28 4.69 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 166.445 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.13 10.18 2.09 Favored 'General case' 0 N--CA 1.536 3.839 0 N-CA-C 120.425 3.491 . . . . 0.0 120.425 -157.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.43 145.38 25.7 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.259 -163.37 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 68.71 -5.76 0.94 Allowed 'General case' 0 N--CA 1.519 2.987 0 C-N-CA 128.944 2.898 . . . . 0.0 118.726 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.01 27.92 69.52 Favored Glycine 0 CA--C 1.56 2.87 0 CA-C-O 116.359 -2.356 . . . . 0.0 117.759 -172.422 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -97.44 139.99 32.55 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.702 2.251 . . . . 0.0 105.259 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.28 90.47 2.61 Favored 'General case' 0 CA--C 1.567 1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 113.184 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 136.64 54.94 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.219 1.408 . . . . 0.0 108.277 161.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 64.46 1.56 Allowed 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 128.655 2.782 . . . . 0.0 110.692 175.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -174.14 2.45 Favored 'General case' 0 CA--C 1.592 2.562 0 CA-C-O 115.457 -2.211 . . . . 0.0 116.806 -136.45 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.28 29.01 0.08 OUTLIER Glycine 0 CA--C 1.547 2.089 0 N-CA-C 119.04 2.376 . . . . 0.0 119.04 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 7.2 t -139.76 -17.84 0.96 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 120.584 2.192 . . . . 0.0 115.717 -163.262 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -78.98 19.38 0.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 119.75 3.241 . . . . 0.0 119.75 -121.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.93 -14.88 57.17 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 146.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.548 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -70.82 102.18 2.29 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.207 1.803 . . . . 0.0 111.213 -172.035 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.3 p -44.52 -67.12 0.31 Allowed 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 112.153 -2.294 . . . . 0.0 113.367 157.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.258 64.6 m 20.11 41.85 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 173.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.629 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 87.3 m -145.32 -49.43 0.24 Allowed 'General case' 0 CA--C 1.582 2.211 0 CA-C-O 115.311 -2.28 . . . . 0.0 113.05 -172.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.629 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -135.57 147.16 48.63 Favored 'General case' 0 N--CA 1.489 1.488 2 CA-C-N 129.519 5.599 . . . . 0.0 111.089 -31.551 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -88.16 126.61 35.22 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.013 0.925 . . . . 0.0 109.414 -179.185 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 120.333 -1.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.4 m170 . . . . . 0 CA--C 1.596 2.747 0 CA-C-O 114.697 -2.573 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.8 t -77.44 -28.97 52.67 Favored 'General case' 0 N--CA 1.516 2.825 0 N-CA-C 117.098 2.258 . . . . 0.0 117.098 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.0 6.41 41.14 Favored 'General case' 0 N--CA 1.535 3.784 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -166.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 tp -125.99 153.23 44.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.451 -155.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.327 80.6 m-85 81.45 -19.73 0.41 Allowed 'General case' 0 N--CA 1.519 2.995 0 C-N-CA 129.605 3.162 . . . . 0.0 118.353 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.01 5.84 37.72 Favored Glycine 0 CA--C 1.55 2.274 0 N-CA-C 119.192 2.437 . . . . 0.0 119.192 159.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -123.39 123.5 40.82 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 170.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.87 93.61 0.27 Allowed 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -161.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.1 126.59 0.26 Allowed 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 128.343 2.657 . . . . 0.0 115.265 146.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -136.99 83.82 2.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 127.193 2.197 . . . . 0.0 107.101 161.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.64 175.68 6.36 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -162.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.06 42.05 0.16 Allowed Glycine 0 CA--C 1.547 2.062 0 CA-C-N 121.857 2.117 . . . . 0.0 116.968 -170.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.57 -41.4 2.27 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 119.072 1.436 . . . . 0.0 111.778 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -68.38 -7.11 28.55 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 120.716 3.598 . . . . 0.0 120.716 -108.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -72.45 -28.36 62.89 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 158.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.37 83.25 3.81 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 121.001 1.728 . . . . 0.0 113.014 -160.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -71.8 16.45 0.12 Allowed 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 121.12 3.748 . . . . 0.0 121.12 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.9 t -14.2 -36.71 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 119.871 3.286 . . . . 0.0 119.871 153.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -106.57 -72.23 0.72 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 125.81 1.644 . . . . 0.0 112.952 -167.289 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 3.12 142.31 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 129.457 3.103 . . . . 0.0 118.73 149.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -134.0 110.77 9.88 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 103.285 -2.857 . . . . 0.0 103.285 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.163 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.1 m170 . . . . . 0 CA--C 1.603 3.014 0 CA-C-O 114.453 -2.689 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.34 0.8 OUTLIER -59.05 -50.41 74.18 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 174.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.7 -1.85 10.22 Favored 'General case' 0 N--CA 1.534 3.743 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -162.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -71.97 169.06 16.7 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 127.073 2.149 . . . . 0.0 111.853 163.084 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.557 ' H ' HD13 ' A' ' 6' ' ' LEU . 80.3 m-85 76.49 -7.49 1.82 Allowed 'General case' 0 N--CA 1.515 2.79 0 C-N-CA 128.959 2.904 . . . . 0.0 116.248 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.22 77.41 Favored Glycine 0 CA--C 1.555 2.553 0 CA-C-O 116.572 -2.238 . . . . 0.0 118.239 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -139.55 152.35 46.83 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 120.348 2.074 . . . . 0.0 106.815 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.33 64.9 m -84.78 96.06 9.15 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 125.044 1.337 . . . . 0.0 114.313 -160.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -116.25 136.68 52.79 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.488 1.915 . . . . 0.0 108.092 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -129.64 80.69 1.98 Allowed 'General case' 0 CA--C 1.57 1.75 0 C-N-CA 128.071 2.548 . . . . 0.0 108.299 171.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.72 179.24 4.13 Favored 'General case' 0 CA--C 1.592 2.573 0 CA-C-O 114.753 -2.546 . . . . 0.0 117.283 -162.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.3 59.64 3.28 Favored Glycine 0 CA--C 1.544 1.861 0 CA-C-N 111.787 -2.461 . . . . 0.0 116.804 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 37.2 t -123.52 -35.1 2.97 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.514 1.926 . . . . 0.0 112.795 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.5 p -78.94 8.14 6.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.323 3.083 . . . . 0.0 119.323 -107.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -68.45 -14.87 63.3 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 157.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -72.37 88.13 1.18 Allowed 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 121.122 1.783 . . . . 0.0 113.519 -163.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -71.75 -11.24 60.72 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.5 p -48.0 -4.43 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 120.38 3.474 . . . . 0.0 120.38 -171.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.26 35.9 t -76.64 -74.04 0.26 Allowed 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 125.986 1.714 . . . . 0.0 112.67 167.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -7.18 146.54 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 130.969 3.708 . . . . 0.0 117.48 154.664 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -134.72 117.68 16.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 119.67 -1.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 CA--C 1.611 3.325 0 CA-C-O 114.924 -2.465 . . . . 0.0 108.612 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.34 -28.07 66.5 Favored 'General case' 0 N--CA 1.521 3.098 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 173.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -114.67 161.89 17.53 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 122.021 0.915 . . . . 0.0 110.572 175.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.8 173.7 11.3 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -20.55 23.65 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 166.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.57 -44.94 0.03 OUTLIER Glycine 0 CA--C 1.557 2.686 0 CA-C-O 115.361 -2.911 . . . . 0.0 118.785 -154.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -142.63 152.23 42.27 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.722 3.261 . . . . 0.0 108.559 -168.001 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.35 63.7 m -90.73 139.79 30.39 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -163.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 127.22 34.64 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 159.42 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -110.99 86.05 2.24 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 127.101 2.16 . . . . 0.0 106.547 162.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -126.52 174.58 8.55 Favored 'General case' 0 CA--C 1.587 2.374 0 CA-C-O 114.823 -2.513 . . . . 0.0 116.559 -159.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.62 54.69 5.34 Favored Glycine 0 CA--C 1.545 1.966 0 CA-C-N 112.329 -2.214 . . . . 0.0 118.329 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 18.2 t -99.21 -32.18 11.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.588 1.955 . . . . 0.0 113.169 164.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -79.08 6.4 9.6 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -106.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.4 p -63.6 -44.73 93.14 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 148.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.79 88.24 4.65 Favored 'General case' 0 C--N 1.366 1.294 0 CA-C-O 123.278 1.513 . . . . 0.0 110.641 -163.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -64.13 0.87 Allowed 'General case' 0 N--CA 1.511 2.587 0 CA-C-N 113.414 -1.721 . . . . 0.0 112.754 168.401 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 21' ' ' CYS 0.281 12.3 t 19.75 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.881 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -163.338 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.275 1.3 t -134.98 -91.85 0.31 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -172.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 6.35 142.29 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 C-N-CA 129.012 2.925 . . . . 0.0 118.533 140.36 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -134.68 110.34 9.21 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 120.239 -1.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.4 m170 . . . . . 0 CA--C 1.612 3.353 0 CA-C-O 115.026 -2.416 . . . . 0.0 108.8 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.1 t -65.53 -42.81 91.57 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -1.0 25.04 Favored 'General case' 0 N--CA 1.529 3.51 0 N-CA-C 120.998 3.703 . . . . 0.0 120.998 -163.33 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 tt -94.06 145.98 24.28 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.054 1.742 . . . . 0.0 108.307 -168.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 70.85 -11.77 0.62 Allowed 'General case' 0 N--CA 1.519 2.98 0 C-N-CA 129.005 2.922 . . . . 0.0 118.03 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.76 36.73 41.61 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 156.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -136.21 114.84 11.93 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 103.175 -2.898 . . . . 0.0 103.175 156.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.03 134.77 35.38 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 118.108 -0.948 . . . . 0.0 112.412 -151.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 123.48 41.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.18 1.392 . . . . 0.0 107.5 167.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -95.26 83.77 3.93 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 112.801 -2.0 . . . . 0.0 107.564 159.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.99 177.96 6.03 Favored 'General case' 0 CA--C 1.583 2.22 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -159.344 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.27 42.74 0.14 Allowed Glycine 0 CA--C 1.546 2.0 0 CA-C-N 122.073 2.215 . . . . 0.0 117.2 -171.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -125.55 -40.32 2.09 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.26 1.53 . . . . 0.0 111.749 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -67.27 -10.92 55.55 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -110.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.7 m -73.04 -26.03 61.15 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 161.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.67 86.46 2.72 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.279 1.399 . . . . 0.0 112.024 -161.417 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.4 m -66.51 2.06 1.44 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 119.826 3.269 . . . . 0.0 119.826 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -34.92 -19.33 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 161.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.301 94.3 m -85.86 -70.98 0.56 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 125.955 1.702 . . . . 0.0 111.043 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -13.57 146.46 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 130.336 3.455 . . . . 0.0 117.163 153.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.8 tpp85 -130.22 -68.04 0.72 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.103 0 O-C-N 118.427 -2.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 1.9 m-70 . . . . . 0 CA--C 1.611 3.321 0 CA-C-O 114.768 -2.539 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.6 t -64.02 -43.44 95.6 Favored 'General case' 0 N--CA 1.514 2.727 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 170.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.41 0.85 23.2 Favored 'General case' 0 N--CA 1.531 3.616 0 N-CA-C 121.237 3.791 . . . . 0.0 121.237 -156.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.576 HD13 ' H ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -91.04 173.26 8.04 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 126.549 1.94 . . . . 0.0 109.447 -171.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.576 ' H ' HD13 ' A' ' 6' ' ' LEU . 85.3 m-85 76.73 -3.49 2.51 Favored 'General case' 0 N--CA 1.518 2.948 0 C-N-CA 128.999 2.919 . . . . 0.0 116.209 173.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.66 -0.53 89.3 Favored Glycine 0 CA--C 1.55 2.23 0 N-CA-C 119.499 2.56 . . . . 0.0 119.499 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -137.76 121.32 17.27 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 104.485 -2.413 . . . . 0.0 104.485 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.29 139.69 36.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 118.867 0.758 . . . . 0.0 112.642 -159.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.58 121.77 35.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.813 1.645 . . . . 0.0 107.714 163.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -101.19 84.52 2.66 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 112.452 -2.158 . . . . 0.0 107.186 163.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -177.61 3.57 Favored 'General case' 0 CA--C 1.59 2.484 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -158.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.8 40.67 0.08 OUTLIER Glycine 0 CA--C 1.544 1.869 0 CA-C-N 122.513 2.415 . . . . 0.0 118.228 -167.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 51.0 t -125.45 -39.27 2.19 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 119.156 1.478 . . . . 0.0 112.217 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -72.56 -1.86 17.6 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 120.33 3.455 . . . . 0.0 120.33 -110.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.1 m -72.77 -24.63 60.97 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 157.448 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -71.03 85.22 0.71 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 121.528 1.967 . . . . 0.0 113.609 -158.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.7 t -66.83 2.39 1.43 Allowed 'General case' 0 N--CA 1.526 3.348 0 N-CA-C 121.634 3.939 . . . . 0.0 121.634 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 t -32.36 -28.57 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.309 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 141.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.312 95.2 m -95.35 -74.77 0.54 Allowed 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.909 1.283 . . . . 0.0 110.086 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -11.95 148.25 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 130.485 3.514 . . . . 0.0 117.263 153.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -129.01 -60.65 1.07 Allowed 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 124.546 1.138 . . . . 0.0 109.715 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.166 0 O-C-N 118.074 -2.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 55.0 m170 . . . . . 0 CA--C 1.597 2.784 0 CA-C-O 114.591 -2.623 . . . . 0.0 112.65 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.48 -41.85 79.55 Favored 'General case' 0 N--CA 1.519 2.993 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 169.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.9 7.11 36.06 Favored 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 120.584 3.55 . . . . 0.0 120.584 -157.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -79.57 144.6 33.73 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.125 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -95.79 -30.99 13.4 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 -127.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.94 -35.24 58.21 Favored Glycine 0 CA--C 1.554 2.513 0 CA-C-O 115.781 -2.677 . . . . 0.0 117.828 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -141.59 132.83 26.44 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 121.514 2.657 . . . . 0.0 106.467 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.5 132.54 40.83 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.09 128.57 52.71 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 169.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.09 83.53 1.8 Allowed 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 126.335 1.854 . . . . 0.0 106.664 156.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.18 176.02 5.81 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -160.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.95 42.75 0.16 Allowed Glycine 0 CA--C 1.547 2.087 0 CA-C-N 121.998 2.181 . . . . 0.0 117.184 -173.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 44.4 t -126.89 -37.96 2.07 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 119.268 1.534 . . . . 0.0 112.201 -176.102 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -70.95 -2.1 14.13 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -110.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -65.34 -43.48 90.79 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 151.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -79.13 87.21 4.89 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.256 1.503 . . . . 0.0 110.216 -163.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.1 p -29.98 -57.21 0.18 Allowed 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -7.88 60.22 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 129.695 3.198 . . . . 0.0 119.195 -164.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.542 ' H ' ' CG ' ' A' ' 23' ' ' GLN . 61.1 m -142.7 -52.39 0.39 Allowed 'General case' 0 CA--C 1.585 2.293 0 CA-C-N 111.499 -2.591 . . . . 0.0 113.256 -175.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.542 ' CG ' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -139.07 145.12 39.15 Favored 'General case' 0 N--CA 1.487 1.394 2 CA-C-N 129.529 5.604 . . . . 0.0 110.911 -31.496 . . . . . . . . 4 4 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 50.3 106.78 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 126.868 2.067 . . . . 0.0 112.402 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 120.041 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.2 m170 . . . . . 0 CA--C 1.598 2.805 0 CA-C-O 114.598 -2.62 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -64.07 -36.9 85.51 Favored 'General case' 0 N--CA 1.516 2.842 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 t -105.67 -7.04 18.7 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 122.302 4.186 . . . . 0.0 122.302 -166.405 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -94.74 170.29 9.55 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 126.349 1.86 . . . . 0.0 109.102 -171.199 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.586 ' H ' HD13 ' A' ' 6' ' ' LEU . 85.9 m-85 75.39 -8.94 1.48 Allowed 'General case' 0 N--CA 1.517 2.92 0 C-N-CA 128.771 2.828 . . . . 0.0 116.47 173.187 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.38 53.18 Favored Glycine 0 CA--C 1.552 2.374 0 CA-C-O 116.627 -2.207 . . . . 0.0 117.944 169.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.86 128.98 29.58 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.2 2.0 . . . . 0.0 105.914 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.51 115.15 12.56 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 119.272 0.942 . . . . 0.0 112.413 -168.314 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.58 131.14 53.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.656 1.582 . . . . 0.0 107.933 173.333 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -112.81 86.6 2.4 Favored 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.171 2.188 . . . . 0.0 106.87 161.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.62 -179.55 4.26 Favored 'General case' 0 CA--C 1.59 2.509 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -159.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.04 38.21 0.09 OUTLIER Glycine 0 CA--C 1.546 1.987 0 CA-C-N 122.589 2.45 . . . . 0.0 118.31 -170.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 53.3 t -120.53 -37.73 2.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 119.168 1.484 . . . . 0.0 111.878 -176.525 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.4 t -74.7 2.4 10.05 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -109.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -64.74 -44.27 90.66 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 149.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.57 88.16 4.51 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-O 123.805 1.764 . . . . 0.0 109.913 -165.038 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -37.87 -59.41 0.83 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 112.999 -1.909 . . . . 0.0 114.368 158.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 t 15.69 45.78 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.021 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.625 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 79.0 m -140.89 -53.06 0.48 Allowed 'General case' 0 CA--C 1.583 2.241 0 CA-C-O 115.502 -2.189 . . . . 0.0 113.687 -169.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.625 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -137.42 145.88 43.7 Favored 'General case' 0 N--CA 1.488 1.429 2 CA-C-N 129.289 5.495 . . . . 0.0 111.001 -35.48 . . . . . . . . 4 4 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -138.88 117.74 12.38 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 104.555 -2.387 . . . . 0.0 104.555 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 119.651 -1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 49.2 m170 . . . . . 0 CA--C 1.596 2.731 0 CA-C-O 114.712 -2.566 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 8.7 t -75.28 -41.1 57.94 Favored 'General case' 0 N--CA 1.516 2.871 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 167.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.33 3.18 55.54 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 120.59 3.552 . . . . 0.0 120.59 -160.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.5 tp -89.38 153.26 20.99 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.568 -165.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 67.64 -6.0 0.73 Allowed 'General case' 0 N--CA 1.523 3.189 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.96 86.77 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 119.309 2.484 . . . . 0.0 119.309 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -122.34 120.05 32.89 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 168.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.18 153.15 39.62 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 117.926 -1.035 . . . . 0.0 113.544 -157.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -100.2 122.33 42.84 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.267 12.9 ptm180 -91.2 74.06 6.23 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 125.508 1.523 . . . . 0.0 109.731 164.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.2 164.1 25.23 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 113.882 -2.961 . . . . 0.0 118.332 -173.285 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.58 55.45 5.02 Favored Glycine 0 CA--C 1.544 1.865 0 N-CA-C 117.955 1.942 . . . . 0.0 117.955 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.5 t -77.65 -34.85 52.97 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.217 1.407 . . . . 0.0 113.542 151.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -73.29 -10.09 59.39 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 118.975 2.954 . . . . 0.0 118.975 -111.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 m -73.07 -16.8 61.47 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 164.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 88.52 0.06 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.472 1.509 . . . . 0.0 113.891 -165.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t -69.8 8.66 0.65 Allowed 'General case' 0 N--CA 1.527 3.396 0 N-CA-C 120.983 3.697 . . . . 0.0 120.983 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.2 t -27.29 -34.73 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.538 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 127.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 76.1 m -109.13 -73.16 0.7 Allowed 'General case' 0 CA--C 1.568 1.666 0 C-N-CA 124.855 1.262 . . . . 0.0 109.86 -166.664 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -8.73 147.73 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 130.379 3.472 . . . . 0.0 117.438 149.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -135.59 117.07 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 119.677 -1.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.522 3.17 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.1 t -105.02 -1.0 26.26 Favored 'General case' 0 N--CA 1.531 3.596 0 N-CA-C 121.476 3.88 . . . . 0.0 121.476 -163.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.9 tp -91.5 150.32 21.27 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.388 1.475 . . . . 0.0 110.226 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 67.57 -9.42 0.43 Allowed 'General case' 0 N--CA 1.52 3.042 0 N-CA-C 118.934 2.938 . . . . 0.0 118.934 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.17 18.45 74.86 Favored Glycine 0 CA--C 1.557 2.673 0 CA-C-O 116.46 -2.3 . . . . 0.0 118.539 -175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -103.0 124.76 49.12 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 176.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.94 117.51 12.53 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -164.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.48 127.09 54.26 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.17 86.64 2.33 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.457 1.903 . . . . 0.0 106.341 157.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.58 2.128 0 CA-C-O 114.527 -2.654 . . . . 0.0 116.346 -162.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.046 0 N-CA-C 118.676 2.23 . . . . 0.0 118.676 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 36.8 t -84.43 -30.37 25.38 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.038 1.735 . . . . 0.0 113.516 158.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -79.2 3.67 17.11 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 118.967 2.951 . . . . 0.0 118.967 -108.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -63.09 -42.82 99.68 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 149.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.506 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.61 86.77 4.58 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-O 123.436 1.588 . . . . 0.0 109.31 -169.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -32.33 -61.35 0.26 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 113.214 -1.812 . . . . 0.0 115.743 162.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.9 t 19.9 40.37 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 -171.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.327 77.2 m -123.53 -77.93 0.6 Allowed 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -178.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 131.768 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.323 0.6 OUTLIER . . . . . 0 CA--C 1.56 1.36 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.02 2.6 1.99 Allowed 'General case' 0 N--CA 1.538 3.952 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -164.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 tp -89.36 151.29 22.14 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 127.51 2.324 . . . . 0.0 110.161 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.263 79.7 m-85 69.22 -16.72 0.23 Allowed 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -175.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.15 17.03 17.01 Favored Glycine 0 CA--C 1.551 2.327 0 CA-C-O 116.348 -2.362 . . . . 0.0 118.101 164.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -135.88 130.03 33.21 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-N 120.454 2.127 . . . . 0.0 106.244 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.301 5.9 m -90.55 128.72 36.66 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.06 -155.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 155.56 40.49 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.781 1.633 . . . . 0.0 109.203 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.255 11.1 ptt180 -120.26 73.09 0.97 Allowed 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 127.535 2.334 . . . . 0.0 110.54 173.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.589 2.472 0 CA-C-O 114.74 -2.552 . . . . 0.0 117.638 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.543 1.817 0 N-CA-C 117.05 1.58 . . . . 0.0 117.05 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -114.94 -37.24 4.21 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 126.425 1.89 . . . . 0.0 112.273 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -80.75 4.9 17.4 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.74 2.867 . . . . 0.0 118.74 -106.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -71.65 -6.56 41.94 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 160.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.06 92.56 0.39 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 124.335 2.017 . . . . 0.0 113.683 -162.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.3 p -50.39 -44.02 54.78 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 111.542 -2.572 . . . . 0.0 116.381 151.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 t -48.73 16.37 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 -163.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.264 3.9 t -68.63 -61.52 1.79 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.134 1.374 . . . . 0.0 113.152 149.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 . . . . . 0 CA--C 1.567 1.61 0 C-N-CA 130.103 3.361 . . . . 0.0 116.258 145.301 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.515 1.8 m . . . . . 0 CA--C 1.571 1.755 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -94.91 15.32 18.96 Favored 'General case' 0 N--CA 1.534 3.749 0 N-CA-C 119.889 3.292 . . . . 0.0 119.889 -169.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.27 140.7 55.75 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 127.258 2.223 . . . . 0.0 111.728 -172.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -28.04 -46.4 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.037 1 N-CA-C 122.998 4.444 . . . . 0.0 122.998 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.43 -37.65 6.13 Favored Glycine 0 CA--C 1.551 2.314 0 CA-C-O 115.977 -2.568 . . . . 0.0 114.092 -166.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -151.55 138.61 19.14 Favored 'General case' 0 N--CA 1.515 2.806 0 CA-C-N 121.212 2.506 . . . . 0.0 106.928 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.92 81.77 8.4 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.304 0.573 . . . . 0.0 111.813 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -57.6 142.34 45.06 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.523 2.329 . . . . 0.0 113.452 147.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -122.98 81.94 1.93 Allowed 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 128.001 2.52 . . . . 0.0 107.383 171.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 11' ' ' ARG . 0.5 OUTLIER . . . . . 0 CA--C 1.591 2.527 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -170.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.557 2.718 0 N-CA-C 119.875 2.71 . . . . 0.0 119.875 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' CD1' ' A' ' 13' ' ' TYR 0.328 17.8 m -139.94 -66.0 0.46 Allowed 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 119.308 1.554 . . . . 0.0 107.046 -139.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 t -76.36 -1.73 28.28 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 119.297 3.073 . . . . 0.0 119.297 -94.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.7 m -70.84 -3.86 21.19 Favored 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 156.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.24 80.68 0.09 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -157.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -76.22 11.2 1.6 Allowed 'General case' 0 N--CA 1.528 3.449 0 N-CA-C 120.825 3.639 . . . . 0.0 120.825 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.9 t -33.07 -29.01 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.543 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 141.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.3 0.5 OUTLIER -102.79 -76.43 0.58 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 126.05 1.74 . . . . 0.0 111.22 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 . . . . . 0 CA--C 1.567 1.622 0 C-N-CA 131.019 3.728 . . . . 0.0 117.39 156.728 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 14.6 t . . . . . 0 N--CA 1.521 3.092 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.97 -4.82 10.59 Favored 'General case' 0 N--CA 1.527 3.383 1 N-CA-C 122.182 4.141 . . . . 0.0 122.182 -165.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.597 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -93.94 170.72 9.34 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 126.195 1.798 . . . . 0.0 109.15 -168.072 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.597 ' H ' HD13 ' A' ' 6' ' ' LEU . 86.5 m-85 76.74 -12.65 1.02 Allowed 'General case' 0 N--CA 1.516 2.863 0 C-N-CA 128.787 2.835 . . . . 0.0 116.129 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.73 -5.55 10.62 Favored Glycine 0 CA--C 1.549 2.213 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 160.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.02 133.1 29.53 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.293 2.9 m -84.82 115.01 22.5 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.79 0.836 . . . . 0.0 112.681 -158.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -89.69 122.51 32.87 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.844 1.658 . . . . 0.0 108.4 173.506 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -97.64 85.31 3.56 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 126.783 2.033 . . . . 0.0 107.406 162.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.585 2.315 0 CA-C-O 114.519 -2.658 . . . . 0.0 116.297 -164.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.159 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 28.6 t -80.48 -28.72 37.47 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 125.856 1.662 . . . . 0.0 114.642 155.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -78.02 4.46 12.18 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.759 2.874 . . . . 0.0 118.759 -107.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.4 m -69.69 -30.33 67.96 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 115.246 -2.311 . . . . 0.0 116.036 152.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.664 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.78 88.01 4.64 Favored 'General case' 0 C--N 1.372 1.586 0 CA-C-N 121.58 1.991 . . . . 0.0 110.624 -167.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 p -42.81 -62.21 1.07 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 112.882 -1.963 . . . . 0.0 114.83 163.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.276 30.5 t 19.77 34.62 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.488 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 8.2 t -140.26 -26.08 0.77 Allowed 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 117.755 2.502 . . . . 0.0 117.755 -176.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.488 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.446 0 CA-C-N 124.959 3.527 . . . . 0.0 110.981 -55.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.406 1.7 p . . . . . 0 CA--C 1.574 1.897 0 N-CA-C 119.547 3.166 . . . . 0.0 119.547 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.1 t -69.48 11.51 0.24 Allowed 'General case' 1 N--CA 1.541 4.098 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 -158.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.587 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -123.84 171.3 9.76 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.736 -155.03 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.587 ' H ' HD13 ' A' ' 6' ' ' LEU . 86.6 m-85 70.72 1.37 3.68 Favored 'General case' 0 N--CA 1.522 3.141 0 C-N-CA 128.371 2.669 . . . . 0.0 116.298 174.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.57 27.48 71.08 Favored Glycine 0 CA--C 1.557 2.684 0 CA-C-O 116.32 -2.378 . . . . 0.0 118.67 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -132.82 142.47 48.99 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 120.788 2.294 . . . . 0.0 105.741 177.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.357 37.6 m -87.18 108.75 19.05 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.942 1.297 . . . . 0.0 112.613 -168.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.05 151.68 37.8 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.849 1.309 . . . . 0.0 107.587 175.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.254 10.4 ptm180 -134.21 77.63 1.71 Allowed 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 126.962 2.105 . . . . 0.0 108.277 164.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.588 2.438 0 CA-C-O 115.133 -2.365 . . . . 0.0 117.069 -160.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.549 2.214 0 N-CA-C 119.219 2.447 . . . . 0.0 119.219 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 6.6 t -140.95 -20.2 0.8 Allowed 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 120.846 2.323 . . . . 0.0 115.8 -161.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -71.89 10.88 0.61 Allowed 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 120.633 3.568 . . . . 0.0 120.633 -123.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.9 m -66.17 2.94 0.99 Allowed 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 149.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -61.03 85.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.797 2.039 . . . . 0.0 116.243 -156.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.2 m -79.39 -8.94 59.46 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 118.574 2.805 . . . . 0.0 118.574 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -30.75 -23.41 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 121.041 3.719 . . . . 0.0 121.041 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.263 1.2 m -97.99 -55.57 2.75 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.01 1.724 . . . . 0.0 114.232 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 . . . . . 0 CA--C 1.569 1.683 0 C-N-CA 129.389 3.075 . . . . 0.0 117.15 151.521 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.316 0.6 OUTLIER . . . . . 0 CA--C 1.572 1.812 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.13 10.18 2.09 Favored 'General case' 0 N--CA 1.536 3.839 0 N-CA-C 120.425 3.491 . . . . 0.0 120.425 -157.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.43 145.38 25.7 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.259 -163.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 68.71 -5.76 0.94 Allowed 'General case' 0 N--CA 1.519 2.987 0 C-N-CA 128.944 2.898 . . . . 0.0 118.726 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.01 27.92 69.52 Favored Glycine 0 CA--C 1.56 2.87 0 CA-C-O 116.359 -2.356 . . . . 0.0 117.759 -172.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -97.44 139.99 32.55 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.702 2.251 . . . . 0.0 105.259 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.28 90.47 2.61 Favored 'General case' 0 CA--C 1.567 1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 113.184 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 136.64 54.94 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.219 1.408 . . . . 0.0 108.277 161.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 64.46 1.56 Allowed 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 128.655 2.782 . . . . 0.0 110.692 175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.592 2.562 0 CA-C-O 115.457 -2.211 . . . . 0.0 116.806 -136.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.089 0 N-CA-C 119.04 2.376 . . . . 0.0 119.04 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 7.2 t -139.76 -17.84 0.96 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 120.584 2.192 . . . . 0.0 115.717 -163.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -78.98 19.38 0.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 119.75 3.241 . . . . 0.0 119.75 -121.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.93 -14.88 57.17 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 146.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.548 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -70.82 102.18 2.29 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.207 1.803 . . . . 0.0 111.213 -172.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.3 p -44.52 -67.12 0.31 Allowed 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 112.153 -2.294 . . . . 0.0 113.367 157.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.258 64.6 m 20.11 41.85 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 173.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.629 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 87.3 m -145.32 -49.43 0.24 Allowed 'General case' 0 CA--C 1.582 2.211 0 CA-C-O 115.311 -2.28 . . . . 0.0 113.05 -172.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.629 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.488 2 CA-C-N 129.519 5.599 . . . . 0.0 111.089 -31.551 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.516 2.825 0 N-CA-C 117.098 2.258 . . . . 0.0 117.098 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.0 6.41 41.14 Favored 'General case' 0 N--CA 1.535 3.784 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -166.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 tp -125.99 153.23 44.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.451 -155.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.327 80.6 m-85 81.45 -19.73 0.41 Allowed 'General case' 0 N--CA 1.519 2.995 0 C-N-CA 129.605 3.162 . . . . 0.0 118.353 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.01 5.84 37.72 Favored Glycine 0 CA--C 1.55 2.274 0 N-CA-C 119.192 2.437 . . . . 0.0 119.192 159.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -123.39 123.5 40.82 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 170.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.87 93.61 0.27 Allowed 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -161.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.1 126.59 0.26 Allowed 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 128.343 2.657 . . . . 0.0 115.265 146.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -136.99 83.82 2.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 127.193 2.197 . . . . 0.0 107.101 161.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 CA--C 1.583 2.212 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -162.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.062 0 CA-C-O 117.353 -1.804 . . . . 0.0 116.968 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.57 -41.4 2.27 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 119.072 1.436 . . . . 0.0 111.778 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -68.38 -7.11 28.55 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 120.716 3.598 . . . . 0.0 120.716 -108.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -72.45 -28.36 62.89 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 158.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.37 83.25 3.81 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 121.001 1.728 . . . . 0.0 113.014 -160.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -71.8 16.45 0.12 Allowed 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 121.12 3.748 . . . . 0.0 121.12 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.9 t -14.2 -36.71 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 119.871 3.286 . . . . 0.0 119.871 153.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -106.57 -72.23 0.72 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 125.81 1.644 . . . . 0.0 112.952 -167.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 . . . . . 0 CA--C 1.569 1.674 0 C-N-CA 129.457 3.103 . . . . 0.0 118.73 149.229 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.34 0.8 OUTLIER . . . . . 0 CA--C 1.571 1.751 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.7 -1.85 10.22 Favored 'General case' 0 N--CA 1.534 3.743 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -162.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -71.97 169.06 16.7 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 127.073 2.149 . . . . 0.0 111.853 163.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.557 ' H ' HD13 ' A' ' 6' ' ' LEU . 80.3 m-85 76.49 -7.49 1.82 Allowed 'General case' 0 N--CA 1.515 2.79 0 C-N-CA 128.959 2.904 . . . . 0.0 116.248 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.22 77.41 Favored Glycine 0 CA--C 1.555 2.553 0 CA-C-O 116.572 -2.238 . . . . 0.0 118.239 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -139.55 152.35 46.83 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 120.348 2.074 . . . . 0.0 106.815 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.33 64.9 m -84.78 96.06 9.15 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 125.044 1.337 . . . . 0.0 114.313 -160.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -116.25 136.68 52.79 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.488 1.915 . . . . 0.0 108.092 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -129.64 80.69 1.98 Allowed 'General case' 0 CA--C 1.57 1.75 0 C-N-CA 128.071 2.548 . . . . 0.0 108.299 171.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.592 2.573 0 CA-C-O 114.753 -2.546 . . . . 0.0 117.283 -162.108 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.861 0 N-CA-C 116.804 1.482 . . . . 0.0 116.804 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 37.2 t -123.52 -35.1 2.97 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.514 1.926 . . . . 0.0 112.795 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.5 p -78.94 8.14 6.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.323 3.083 . . . . 0.0 119.323 -107.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -68.45 -14.87 63.3 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 157.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -72.37 88.13 1.18 Allowed 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 121.122 1.783 . . . . 0.0 113.519 -163.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -71.75 -11.24 60.72 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.5 p -48.0 -4.43 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 120.38 3.474 . . . . 0.0 120.38 -171.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.26 35.9 t -76.64 -74.04 0.26 Allowed 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 125.986 1.714 . . . . 0.0 112.67 167.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 . . . . . 0 CA--C 1.567 1.611 0 C-N-CA 130.969 3.708 . . . . 0.0 117.48 154.664 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 t . . . . . 0 N--CA 1.521 3.098 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -114.67 161.89 17.53 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 122.021 0.915 . . . . 0.0 110.572 175.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.8 173.7 11.3 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -20.55 23.65 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 166.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.57 -44.94 0.03 OUTLIER Glycine 0 CA--C 1.557 2.686 0 CA-C-O 115.361 -2.911 . . . . 0.0 118.785 -154.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -142.63 152.23 42.27 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.722 3.261 . . . . 0.0 108.559 -168.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.35 63.7 m -90.73 139.79 30.39 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -163.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 127.22 34.64 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 159.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -110.99 86.05 2.24 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 127.101 2.16 . . . . 0.0 106.547 162.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.587 2.374 0 CA-C-O 114.823 -2.513 . . . . 0.0 116.559 -159.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.545 1.966 0 N-CA-C 118.329 2.092 . . . . 0.0 118.329 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 18.2 t -99.21 -32.18 11.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.588 1.955 . . . . 0.0 113.169 164.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -79.08 6.4 9.6 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -106.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.4 p -63.6 -44.73 93.14 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 148.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.79 88.24 4.65 Favored 'General case' 0 C--N 1.366 1.294 0 CA-C-O 123.278 1.513 . . . . 0.0 110.641 -163.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -64.13 0.87 Allowed 'General case' 0 N--CA 1.511 2.587 0 CA-C-N 113.414 -1.721 . . . . 0.0 112.754 168.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 21' ' ' CYS 0.281 12.3 t 19.75 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.881 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -163.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.275 1.3 t -134.98 -91.85 0.31 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -172.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 . . . . . 0 CA--C 1.57 1.721 0 C-N-CA 129.012 2.925 . . . . 0.0 118.533 140.36 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.516 2.869 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -1.0 25.04 Favored 'General case' 0 N--CA 1.529 3.51 0 N-CA-C 120.998 3.703 . . . . 0.0 120.998 -163.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 tt -94.06 145.98 24.28 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.054 1.742 . . . . 0.0 108.307 -168.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 70.85 -11.77 0.62 Allowed 'General case' 0 N--CA 1.519 2.98 0 C-N-CA 129.005 2.922 . . . . 0.0 118.03 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.76 36.73 41.61 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 156.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -136.21 114.84 11.93 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 103.175 -2.898 . . . . 0.0 103.175 156.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.03 134.77 35.38 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 118.108 -0.948 . . . . 0.0 112.412 -151.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 123.48 41.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.18 1.392 . . . . 0.0 107.5 167.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -95.26 83.77 3.93 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 112.801 -2.0 . . . . 0.0 107.564 159.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.583 2.22 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -159.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 2.0 0 CA-C-O 117.188 -1.895 . . . . 0.0 117.2 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -125.55 -40.32 2.09 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.26 1.53 . . . . 0.0 111.749 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -67.27 -10.92 55.55 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -110.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.7 m -73.04 -26.03 61.15 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 161.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.67 86.46 2.72 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.279 1.399 . . . . 0.0 112.024 -161.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.4 m -66.51 2.06 1.44 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 119.826 3.269 . . . . 0.0 119.826 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -34.92 -19.33 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 161.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.301 94.3 m -85.86 -70.98 0.56 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 125.955 1.702 . . . . 0.0 111.043 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 . . . . . 0 CA--C 1.567 1.599 0 C-N-CA 130.336 3.455 . . . . 0.0 117.163 153.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.6 t . . . . . 0 N--CA 1.514 2.727 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.41 0.85 23.2 Favored 'General case' 0 N--CA 1.531 3.616 0 N-CA-C 121.237 3.791 . . . . 0.0 121.237 -156.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.576 HD13 ' H ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -91.04 173.26 8.04 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 126.549 1.94 . . . . 0.0 109.447 -171.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.576 ' H ' HD13 ' A' ' 6' ' ' LEU . 85.3 m-85 76.73 -3.49 2.51 Favored 'General case' 0 N--CA 1.518 2.948 0 C-N-CA 128.999 2.919 . . . . 0.0 116.209 173.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.66 -0.53 89.3 Favored Glycine 0 CA--C 1.55 2.23 0 N-CA-C 119.499 2.56 . . . . 0.0 119.499 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -137.76 121.32 17.27 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 104.485 -2.413 . . . . 0.0 104.485 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.29 139.69 36.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 118.867 0.758 . . . . 0.0 112.642 -159.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.58 121.77 35.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.813 1.645 . . . . 0.0 107.714 163.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -101.19 84.52 2.66 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 112.452 -2.158 . . . . 0.0 107.186 163.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.59 2.484 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -158.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.869 0 N-CA-C 118.228 2.051 . . . . 0.0 118.228 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 51.0 t -125.45 -39.27 2.19 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 119.156 1.478 . . . . 0.0 112.217 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -72.56 -1.86 17.6 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 120.33 3.455 . . . . 0.0 120.33 -110.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.1 m -72.77 -24.63 60.97 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 157.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -71.03 85.22 0.71 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 121.528 1.967 . . . . 0.0 113.609 -158.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.7 t -66.83 2.39 1.43 Allowed 'General case' 0 N--CA 1.526 3.348 0 N-CA-C 121.634 3.939 . . . . 0.0 121.634 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 t -32.36 -28.57 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.309 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 141.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.312 95.2 m -95.35 -74.77 0.54 Allowed 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.909 1.283 . . . . 0.0 110.086 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 CA--C 1.567 1.609 0 C-N-CA 130.485 3.514 . . . . 0.0 117.263 153.762 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.519 2.993 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.9 7.11 36.06 Favored 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 120.584 3.55 . . . . 0.0 120.584 -157.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -79.57 144.6 33.73 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.125 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -95.79 -30.99 13.4 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 -127.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.94 -35.24 58.21 Favored Glycine 0 CA--C 1.554 2.513 0 CA-C-O 115.781 -2.677 . . . . 0.0 117.828 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -141.59 132.83 26.44 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 121.514 2.657 . . . . 0.0 106.467 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.5 132.54 40.83 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.09 128.57 52.71 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 169.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.09 83.53 1.8 Allowed 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 126.335 1.854 . . . . 0.0 106.664 156.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.583 2.225 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -160.031 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.547 2.087 0 CA-C-O 117.281 -1.844 . . . . 0.0 117.184 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 44.4 t -126.89 -37.96 2.07 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 119.268 1.534 . . . . 0.0 112.201 -176.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -70.95 -2.1 14.13 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -110.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -65.34 -43.48 90.79 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 151.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -79.13 87.21 4.89 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.256 1.503 . . . . 0.0 110.216 -163.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.1 p -29.98 -57.21 0.18 Allowed 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -7.88 60.22 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 129.695 3.198 . . . . 0.0 119.195 -164.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.542 ' H ' ' CG ' ' A' ' 23' ' ' GLN . 61.1 m -142.7 -52.39 0.39 Allowed 'General case' 0 CA--C 1.585 2.293 0 CA-C-N 111.499 -2.591 . . . . 0.0 113.256 -175.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.542 ' CG ' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.394 2 CA-C-N 129.529 5.604 . . . . 0.0 110.911 -31.496 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.516 2.842 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 t -105.67 -7.04 18.7 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 122.302 4.186 . . . . 0.0 122.302 -166.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -94.74 170.29 9.55 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 126.349 1.86 . . . . 0.0 109.102 -171.199 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.586 ' H ' HD13 ' A' ' 6' ' ' LEU . 85.9 m-85 75.39 -8.94 1.48 Allowed 'General case' 0 N--CA 1.517 2.92 0 C-N-CA 128.771 2.828 . . . . 0.0 116.47 173.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.38 53.18 Favored Glycine 0 CA--C 1.552 2.374 0 CA-C-O 116.627 -2.207 . . . . 0.0 117.944 169.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.86 128.98 29.58 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.2 2.0 . . . . 0.0 105.914 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.51 115.15 12.56 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 119.272 0.942 . . . . 0.0 112.413 -168.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.58 131.14 53.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.656 1.582 . . . . 0.0 107.933 173.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -112.81 86.6 2.4 Favored 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.171 2.188 . . . . 0.0 106.87 161.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.59 2.509 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -159.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.546 1.987 0 N-CA-C 118.31 2.084 . . . . 0.0 118.31 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 53.3 t -120.53 -37.73 2.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 119.168 1.484 . . . . 0.0 111.878 -176.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.4 t -74.7 2.4 10.05 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -109.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -64.74 -44.27 90.66 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 149.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.57 88.16 4.51 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-O 123.805 1.764 . . . . 0.0 109.913 -165.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -37.87 -59.41 0.83 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 112.999 -1.909 . . . . 0.0 114.368 158.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 t 15.69 45.78 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.021 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.625 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 79.0 m -140.89 -53.06 0.48 Allowed 'General case' 0 CA--C 1.583 2.241 0 CA-C-O 115.502 -2.189 . . . . 0.0 113.687 -169.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.625 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.488 1.429 2 CA-C-N 129.289 5.495 . . . . 0.0 111.001 -35.48 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 8.7 t . . . . . 0 N--CA 1.516 2.871 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.33 3.18 55.54 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 120.59 3.552 . . . . 0.0 120.59 -160.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.5 tp -89.38 153.26 20.99 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.568 -165.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 67.64 -6.0 0.73 Allowed 'General case' 0 N--CA 1.523 3.189 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.96 86.77 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 119.309 2.484 . . . . 0.0 119.309 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -122.34 120.05 32.89 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 168.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.18 153.15 39.62 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 117.926 -1.035 . . . . 0.0 113.544 -157.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -100.2 122.33 42.84 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.267 12.9 ptm180 -91.2 74.06 6.23 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 125.508 1.523 . . . . 0.0 109.731 164.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.573 1.85 0 CA-C-O 113.882 -2.961 . . . . 0.0 118.332 -173.285 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.544 1.865 0 N-CA-C 117.955 1.942 . . . . 0.0 117.955 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.5 t -77.65 -34.85 52.97 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.217 1.407 . . . . 0.0 113.542 151.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -73.29 -10.09 59.39 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 118.975 2.954 . . . . 0.0 118.975 -111.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 m -73.07 -16.8 61.47 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 164.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 88.52 0.06 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.472 1.509 . . . . 0.0 113.891 -165.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t -69.8 8.66 0.65 Allowed 'General case' 0 N--CA 1.527 3.396 0 N-CA-C 120.983 3.697 . . . . 0.0 120.983 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.2 t -27.29 -34.73 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.538 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 127.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 76.1 m -109.13 -73.16 0.7 Allowed 'General case' 0 CA--C 1.568 1.666 0 C-N-CA 124.855 1.262 . . . . 0.0 109.86 -166.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 . . . . . 0 CA--C 1.568 1.655 0 C-N-CA 130.379 3.472 . . . . 0.0 117.438 149.775 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.4 m170 . . . . . 0 CA--C 1.611 3.302 0 CA-C-O 114.906 -2.473 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 6.8 t -61.74 -34.46 75.86 Favored 'General case' 0 N--CA 1.522 3.17 0 N-CA-C 116.31 1.967 . . . . 0.0 116.31 173.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.1 t -105.02 -1.0 26.26 Favored 'General case' 0 N--CA 1.531 3.596 0 N-CA-C 121.476 3.88 . . . . 0.0 121.476 -163.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.9 tp -91.5 150.32 21.27 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.388 1.475 . . . . 0.0 110.226 -166.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 67.57 -9.42 0.43 Allowed 'General case' 0 N--CA 1.52 3.042 0 N-CA-C 118.934 2.938 . . . . 0.0 118.934 -176.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.17 18.45 74.86 Favored Glycine 0 CA--C 1.557 2.673 0 CA-C-O 116.46 -2.3 . . . . 0.0 118.539 -175.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -103.0 124.76 49.12 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 104.295 -2.483 . . . . 0.0 104.295 176.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -70.94 117.51 12.53 Favored 'General case' 0 CA--C 1.567 1.63 0 N-CA-C 112.907 0.706 . . . . 0.0 112.907 -164.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.48 127.09 54.26 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 106.947 -1.501 . . . . 0.0 106.947 165.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.17 86.64 2.33 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.457 1.903 . . . . 0.0 106.341 157.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -128.28 168.44 15.49 Favored 'General case' 0 CA--C 1.58 2.128 0 CA-C-O 114.527 -2.654 . . . . 0.0 116.346 -162.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 74.1 52.23 8.05 Favored Glycine 0 CA--C 1.547 2.046 0 N-CA-C 118.676 2.23 . . . . 0.0 118.676 178.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.506 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 36.8 t -84.43 -30.37 25.38 Favored 'General case' 0 N--CA 1.495 1.818 0 C-N-CA 126.038 1.735 . . . . 0.0 113.516 158.338 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.8 p -79.2 3.67 17.11 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 118.967 2.951 . . . . 0.0 118.967 -108.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -63.09 -42.82 99.68 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 114.873 1.434 . . . . 0.0 114.873 149.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.506 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.61 86.77 4.58 Favored 'General case' 0 C--N 1.364 1.21 0 CA-C-O 123.436 1.588 . . . . 0.0 109.31 -169.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.9 p -32.33 -61.35 0.26 Allowed 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 113.214 -1.812 . . . . 0.0 115.743 162.159 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.9 t 19.9 40.37 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.883 0 N-CA-C 119.625 3.194 . . . . 0.0 119.625 -171.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.327 77.2 m -123.53 -77.93 0.6 Allowed 'General case' 0 CA--C 1.566 1.583 0 N-CA-C 106.226 -1.768 . . . . 0.0 106.226 -178.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.0 mm100 5.39 142.3 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 118.337 2.717 . . . . 0.0 118.337 131.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 48.8 ttp180 -134.3 110.72 9.68 Favored 'General case' 0 N--CA 1.487 1.393 0 N-CA-C 103.258 -2.867 . . . . 0.0 103.258 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.468 0 O-C-N 120.134 -1.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.3 m170 . . . . . 0 CA--C 1.601 2.94 0 CA-C-O 114.429 -2.701 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.323 0.6 OUTLIER -64.26 -46.35 84.1 Favored 'General case' 0 CA--C 1.56 1.36 0 N-CA-C 118.414 2.746 . . . . 0.0 118.414 178.838 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 t -68.02 2.6 1.99 Allowed 'General case' 0 N--CA 1.538 3.952 0 N-CA-C 120.732 3.604 . . . . 0.0 120.732 -164.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.0 tp -89.36 151.29 22.14 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 127.51 2.324 . . . . 0.0 110.161 -174.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.263 79.7 m-85 69.22 -16.72 0.23 Allowed 'General case' 0 N--CA 1.519 2.985 0 N-CA-C 118.66 2.837 . . . . 0.0 118.66 -175.506 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.15 17.03 17.01 Favored Glycine 0 CA--C 1.551 2.327 0 CA-C-O 116.348 -2.362 . . . . 0.0 118.101 164.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -135.88 130.03 33.21 Favored 'General case' 0 N--CA 1.506 2.342 0 CA-C-N 120.454 2.127 . . . . 0.0 106.244 175.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.301 5.9 m -90.55 128.72 36.66 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-O 118.426 -0.797 . . . . 0.0 113.06 -155.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -125.57 155.56 40.49 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.781 1.633 . . . . 0.0 109.203 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.255 11.1 ptt180 -120.26 73.09 0.97 Allowed 'General case' 0 CA--C 1.573 1.828 0 C-N-CA 127.535 2.334 . . . . 0.0 110.54 173.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -114.7 177.12 4.76 Favored 'General case' 0 CA--C 1.589 2.472 0 CA-C-O 114.74 -2.552 . . . . 0.0 117.638 -171.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.97 58.86 3.32 Favored Glycine 0 CA--C 1.543 1.817 0 CA-C-N 111.886 -2.416 . . . . 0.0 117.05 179.296 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 37.8 t -114.94 -37.24 4.21 Favored 'General case' 0 CA--C 1.565 1.554 0 C-N-CA 126.425 1.89 . . . . 0.0 112.273 171.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.6 t -80.75 4.9 17.4 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 118.74 2.867 . . . . 0.0 118.74 -106.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 66.6 m -71.65 -6.56 41.94 Favored 'General case' 0 CA--C 1.57 1.746 0 N-CA-C 117.093 2.257 . . . . 0.0 117.093 160.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.06 92.56 0.39 Allowed 'General case' 0 N--CA 1.482 1.13 0 CA-C-O 124.335 2.017 . . . . 0.0 113.683 -162.792 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 80.3 p -50.39 -44.02 54.78 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 111.542 -2.572 . . . . 0.0 116.381 151.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.8 t -48.73 16.37 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.669 0 N-CA-C 119.953 3.316 . . . . 0.0 119.953 -163.449 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.264 3.9 t -68.63 -61.52 1.79 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.134 1.374 . . . . 0.0 113.152 149.599 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -17.29 145.33 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.61 0 C-N-CA 130.103 3.361 . . . . 0.0 116.258 145.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -128.13 -70.22 0.7 Allowed 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.309 -1.367 . . . . 0.0 107.309 177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.071 0 O-C-N 118.457 -2.652 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 31.3 m170 . . . . . 0 CA--C 1.602 2.954 0 CA-C-O 114.432 -2.699 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.515 1.8 m -68.5 -23.26 64.53 Favored 'General case' 0 CA--C 1.571 1.755 0 N-CA-C 120.244 3.424 . . . . 0.0 120.244 176.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.9 t -94.91 15.32 18.96 Favored 'General case' 0 N--CA 1.534 3.749 0 N-CA-C 119.889 3.292 . . . . 0.0 119.889 -169.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 tt -59.27 140.7 55.75 Favored 'General case' 0 N--CA 1.497 1.892 0 C-N-CA 127.258 2.223 . . . . 0.0 111.728 -172.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -28.04 -46.4 0.04 OUTLIER 'General case' 0 CA--C 1.552 1.037 1 N-CA-C 122.998 4.444 . . . . 0.0 122.998 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -91.43 -37.65 6.13 Favored Glycine 0 CA--C 1.551 2.314 0 CA-C-O 115.977 -2.568 . . . . 0.0 114.092 -166.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -151.55 138.61 19.14 Favored 'General case' 0 N--CA 1.515 2.806 0 CA-C-N 121.212 2.506 . . . . 0.0 106.928 176.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 18.7 t -85.92 81.77 8.4 Favored 'General case' 0 CA--C 1.564 1.514 0 CA-C-O 121.304 0.573 . . . . 0.0 111.813 170.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.445 ' HG3' ' CE2' ' A' ' 13' ' ' TYR . 0.0 OUTLIER -57.6 142.34 45.06 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 127.523 2.329 . . . . 0.0 113.452 147.192 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -122.98 81.94 1.93 Allowed 'General case' 0 CA--C 1.566 1.591 0 C-N-CA 128.001 2.52 . . . . 0.0 107.383 171.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.445 ' CE2' ' HG3' ' A' ' 11' ' ' ARG . 0.5 OUTLIER -110.91 -171.95 1.93 Allowed 'General case' 0 CA--C 1.591 2.527 0 N-CA-C 117.678 2.473 . . . . 0.0 117.678 -170.108 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 176.35 21.79 0.03 OUTLIER Glycine 0 CA--C 1.557 2.718 0 N-CA-C 119.875 2.71 . . . . 0.0 119.875 176.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.4 ' SG ' ' CD1' ' A' ' 13' ' ' TYR 0.328 17.8 m -139.94 -66.0 0.46 Allowed 'General case' 0 CA--C 1.556 1.21 0 CA-C-N 119.308 1.554 . . . . 0.0 107.046 -139.735 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.5 t -76.36 -1.73 28.28 Favored 'General case' 0 N--CA 1.51 2.539 0 N-CA-C 119.297 3.073 . . . . 0.0 119.297 -94.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 65.7 m -70.84 -3.86 21.19 Favored 'General case' 0 CA--C 1.575 1.942 0 N-CA-C 117.476 2.399 . . . . 0.0 117.476 156.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.24 80.68 0.09 Allowed 'General case' 0 CA--C 1.568 1.654 0 N-CA-C 116.489 2.033 . . . . 0.0 116.489 -157.516 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 34.0 t -76.22 11.2 1.6 Allowed 'General case' 0 N--CA 1.528 3.449 0 N-CA-C 120.825 3.639 . . . . 0.0 120.825 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.9 t -33.07 -29.01 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.543 0 N-CA-C 116.988 2.218 . . . . 0.0 116.988 141.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.3 0.5 OUTLIER -102.79 -76.43 0.58 Allowed 'General case' 0 CA--C 1.561 1.403 0 C-N-CA 126.05 1.74 . . . . 0.0 111.22 -179.769 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.8 mm100 -11.57 148.69 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.622 0 C-N-CA 131.019 3.728 . . . . 0.0 117.39 156.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.6 mtm-85 -135.14 117.71 15.9 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 104.668 -2.345 . . . . 0.0 104.668 -179.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 119.733 -1.854 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 7.9 m170 . . . . . 0 CA--C 1.611 3.314 0 CA-C-O 114.932 -2.461 . . . . 0.0 108.665 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 14.6 t -58.52 -33.58 70.01 Favored 'General case' 0 N--CA 1.521 3.092 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 172.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.8 t -118.97 -4.82 10.59 Favored 'General case' 0 N--CA 1.527 3.383 1 N-CA-C 122.182 4.141 . . . . 0.0 122.182 -165.332 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.597 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -93.94 170.72 9.34 Favored 'General case' 0 CA--C 1.561 1.369 0 C-N-CA 126.195 1.798 . . . . 0.0 109.15 -168.072 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.597 ' H ' HD13 ' A' ' 6' ' ' LEU . 86.5 m-85 76.74 -12.65 1.02 Allowed 'General case' 0 N--CA 1.516 2.863 0 C-N-CA 128.787 2.835 . . . . 0.0 116.129 173.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 121.73 -5.55 10.62 Favored Glycine 0 CA--C 1.549 2.213 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 160.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.7 ttpt -140.02 133.1 29.53 Favored 'General case' 0 N--CA 1.507 2.4 0 N-CA-C 105.802 -1.925 . . . . 0.0 105.802 177.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.293 2.9 m -84.82 115.01 22.5 Favored 'General case' 0 CA--C 1.563 1.454 0 C-N-CA 123.79 0.836 . . . . 0.0 112.681 -158.702 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.416 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER -89.69 122.51 32.87 Favored 'General case' 0 C--N 1.355 0.823 0 C-N-CA 125.844 1.658 . . . . 0.0 108.4 173.506 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -97.64 85.31 3.56 Favored 'General case' 0 CA--C 1.564 1.505 0 C-N-CA 126.783 2.033 . . . . 0.0 107.406 162.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -127.25 173.76 9.49 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-O 114.519 -2.658 . . . . 0.0 116.297 -164.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 71.26 46.75 40.37 Favored Glycine 0 CA--C 1.549 2.159 0 N-CA-C 119.575 2.59 . . . . 0.0 119.575 178.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.664 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 28.6 t -80.48 -28.72 37.47 Favored 'General case' 0 N--CA 1.496 1.835 0 C-N-CA 125.856 1.662 . . . . 0.0 114.642 155.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.9 t -78.02 4.46 12.18 Favored 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 118.759 2.874 . . . . 0.0 118.759 -107.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 71.4 m -69.69 -30.33 67.96 Favored 'General case' 0 CA--C 1.563 1.479 0 CA-C-O 115.246 -2.311 . . . . 0.0 116.036 152.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.664 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.78 88.01 4.64 Favored 'General case' 0 C--N 1.372 1.586 0 CA-C-N 121.58 1.991 . . . . 0.0 110.624 -167.414 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 63.1 p -42.81 -62.21 1.07 Allowed 'General case' 0 N--CA 1.498 1.943 0 CA-C-N 112.882 -1.963 . . . . 0.0 114.83 163.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.276 30.5 t 19.77 34.62 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 120.552 3.538 . . . . 0.0 120.552 -179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.488 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 8.2 t -140.26 -26.08 0.77 Allowed 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 117.755 2.502 . . . . 0.0 117.755 -176.47 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.488 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -122.85 144.66 49.06 Favored 'General case' 0 N--CA 1.488 1.446 0 CA-C-N 124.959 3.527 . . . . 0.0 110.981 -55.812 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . 0.301 19.2 tpp180 61.23 -63.79 0.07 Allowed 'General case' 0 N--CA 1.505 2.317 0 C-N-CA 126.791 2.036 . . . . 0.0 113.944 -179.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.331 -0.224 0 O-C-N 118.728 -2.482 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 30.3 m170 . . . . . 0 CA--C 1.603 2.992 0 CA-C-O 114.509 -2.662 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . 0.42 ' C ' ' HH ' ' A' ' 13' ' ' TYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.406 1.7 p -54.03 -44.21 70.81 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 119.547 3.166 . . . . 0.0 119.547 169.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 5.1 t -69.48 11.51 0.24 Allowed 'General case' 1 N--CA 1.541 4.098 0 N-CA-C 121.314 3.82 . . . . 0.0 121.314 -158.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.587 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.2 OUTLIER -123.84 171.3 9.76 Favored 'General case' 0 CA--C 1.561 1.385 0 CA-C-N 113.576 -1.647 . . . . 0.0 108.736 -155.03 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.587 ' H ' HD13 ' A' ' 6' ' ' LEU . 86.6 m-85 70.72 1.37 3.68 Favored 'General case' 0 N--CA 1.522 3.141 0 C-N-CA 128.371 2.669 . . . . 0.0 116.298 174.001 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 71.57 27.48 71.08 Favored Glycine 0 CA--C 1.557 2.684 0 CA-C-O 116.32 -2.378 . . . . 0.0 118.67 -171.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt -132.82 142.47 48.99 Favored 'General case' 0 N--CA 1.501 2.092 0 CA-C-N 120.788 2.294 . . . . 0.0 105.741 177.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.357 37.6 m -87.18 108.75 19.05 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 124.942 1.297 . . . . 0.0 112.613 -168.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.05 151.68 37.8 Favored 'General case' 0 CA--C 1.562 1.423 0 CA-C-O 122.849 1.309 . . . . 0.0 107.587 175.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.254 10.4 ptm180 -134.21 77.63 1.71 Allowed 'General case' 0 CA--C 1.57 1.747 0 C-N-CA 126.962 2.105 . . . . 0.0 108.277 164.683 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . 0.42 ' HH ' ' C ' ' A' ' 2' ' ' HYP . 0.3 OUTLIER -110.86 -175.19 2.65 Favored 'General case' 0 CA--C 1.588 2.438 0 CA-C-O 115.133 -2.365 . . . . 0.0 117.069 -160.841 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.83 27.05 0.07 OUTLIER Glycine 0 CA--C 1.549 2.214 0 N-CA-C 119.219 2.447 . . . . 0.0 119.219 172.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.653 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 6.6 t -140.95 -20.2 0.8 Allowed 'General case' 0 N--CA 1.496 1.866 0 CA-C-N 120.846 2.323 . . . . 0.0 115.8 -161.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.4 t -71.89 10.88 0.61 Allowed 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 120.633 3.568 . . . . 0.0 120.633 -123.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.9 m -66.17 2.94 0.99 Allowed 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 118.622 2.823 . . . . 0.0 118.622 149.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.653 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -61.03 85.33 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.49 0 C-N-CA 126.797 2.039 . . . . 0.0 116.243 -156.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 45.2 m -79.39 -8.94 59.46 Favored 'General case' 0 CA--C 1.562 1.429 0 N-CA-C 118.574 2.805 . . . . 0.0 118.574 177.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 66.8 m -30.75 -23.41 0.0 OUTLIER 'General case' 0 CA--C 1.576 1.979 0 N-CA-C 121.041 3.719 . . . . 0.0 121.041 176.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.263 1.2 m -97.99 -55.57 2.75 Favored 'General case' 0 CA--C 1.563 1.476 0 C-N-CA 126.01 1.724 . . . . 0.0 114.232 -176.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -14.28 145.58 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.683 0 C-N-CA 129.389 3.075 . . . . 0.0 117.15 151.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -129.35 -67.3 0.77 Allowed 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 178.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.088 0 O-C-N 118.398 -2.689 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 4.9 m170 . . . . . 0 CA--C 1.618 3.562 0 CA-C-O 115.223 -2.322 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.316 0.6 OUTLIER -68.17 -58.28 4.69 Favored 'General case' 0 CA--C 1.572 1.812 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 166.445 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.0 t -76.13 10.18 2.09 Favored 'General case' 0 N--CA 1.536 3.839 0 N-CA-C 120.425 3.491 . . . . 0.0 120.425 -157.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tt -96.43 145.38 25.7 Favored 'General case' 0 N--CA 1.487 1.416 0 CA-C-N 112.822 -1.99 . . . . 0.0 108.259 -163.37 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 68.71 -5.76 0.94 Allowed 'General case' 0 N--CA 1.519 2.987 0 C-N-CA 128.944 2.898 . . . . 0.0 118.726 -174.182 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 72.01 27.92 69.52 Favored Glycine 0 CA--C 1.56 2.87 0 CA-C-O 116.359 -2.356 . . . . 0.0 117.759 -172.422 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.9 tttp -97.44 139.99 32.55 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.702 2.251 . . . . 0.0 105.259 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 52.7 t -75.28 90.47 2.61 Favored 'General case' 0 CA--C 1.567 1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 113.184 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.08 136.64 54.94 Favored 'General case' 0 CA--C 1.557 1.234 0 C-N-CA 125.219 1.408 . . . . 0.0 108.277 161.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -135.93 64.46 1.56 Allowed 'General case' 0 CA--C 1.565 1.552 0 C-N-CA 128.655 2.782 . . . . 0.0 110.692 175.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -107.78 -174.14 2.45 Favored 'General case' 0 CA--C 1.592 2.562 0 CA-C-O 115.457 -2.211 . . . . 0.0 116.806 -136.45 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.28 29.01 0.08 OUTLIER Glycine 0 CA--C 1.547 2.089 0 N-CA-C 119.04 2.376 . . . . 0.0 119.04 174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.548 ' SG ' ' HB2' ' A' ' 19' ' ' ALA . 7.2 t -139.76 -17.84 0.96 Allowed 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 120.584 2.192 . . . . 0.0 115.717 -163.262 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.9 m -78.98 19.38 0.54 Allowed 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 119.75 3.241 . . . . 0.0 119.75 -121.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.8 t -63.93 -14.88 57.17 Favored 'General case' 0 N--CA 1.5 2.05 0 N-CA-C 117.615 2.45 . . . . 0.0 117.615 146.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.548 ' HB2' ' SG ' ' A' ' 16' ' ' CYS . . . -70.82 102.18 2.29 Favored 'General case' 0 C--N 1.359 1.0 0 C-N-CA 126.207 1.803 . . . . 0.0 111.213 -172.035 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 56.3 p -44.52 -67.12 0.31 Allowed 'General case' 0 N--CA 1.494 1.725 0 CA-C-N 112.153 -2.294 . . . . 0.0 113.367 157.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . 0.258 64.6 m 20.11 41.85 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 120.239 3.422 . . . . 0.0 120.239 173.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.629 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 87.3 m -145.32 -49.43 0.24 Allowed 'General case' 0 CA--C 1.582 2.211 0 CA-C-O 115.311 -2.28 . . . . 0.0 113.05 -172.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.629 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -135.57 147.16 48.63 Favored 'General case' 0 N--CA 1.489 1.488 2 CA-C-N 129.519 5.599 . . . . 0.0 111.089 -31.551 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.44 ' H ' ' HD2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -88.16 126.61 35.22 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 124.013 0.925 . . . . 0.0 109.414 -179.185 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 120.333 -1.479 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 40.4 m170 . . . . . 0 CA--C 1.596 2.747 0 CA-C-O 114.697 -2.573 . . . . 0.0 112.894 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.8 t -77.44 -28.97 52.67 Favored 'General case' 0 N--CA 1.516 2.825 0 N-CA-C 117.098 2.258 . . . . 0.0 117.098 170.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -102.0 6.41 41.14 Favored 'General case' 0 N--CA 1.535 3.784 0 N-CA-C 120.157 3.391 . . . . 0.0 120.157 -166.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.9 tp -125.99 153.23 44.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 114.699 -1.137 . . . . 0.0 111.451 -155.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . 0.327 80.6 m-85 81.45 -19.73 0.41 Allowed 'General case' 0 N--CA 1.519 2.995 0 C-N-CA 129.605 3.162 . . . . 0.0 118.353 179.671 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 106.01 5.84 37.72 Favored Glycine 0 CA--C 1.55 2.274 0 N-CA-C 119.192 2.437 . . . . 0.0 119.192 159.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 34.1 ttpt -123.39 123.5 40.82 Favored 'General case' 0 N--CA 1.505 2.306 0 N-CA-C 105.402 -2.073 . . . . 0.0 105.402 170.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 12.6 t -66.87 93.61 0.27 Allowed 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 114.644 1.35 . . . . 0.0 114.644 -161.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -32.1 126.59 0.26 Allowed 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 128.343 2.657 . . . . 0.0 115.265 146.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -136.99 83.82 2.02 Favored 'General case' 0 CA--C 1.567 1.603 0 C-N-CA 127.193 2.197 . . . . 0.0 107.101 161.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -122.64 175.68 6.36 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 117.791 2.515 . . . . 0.0 117.791 -162.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -173.06 42.05 0.16 Allowed Glycine 0 CA--C 1.547 2.062 0 CA-C-N 121.857 2.117 . . . . 0.0 116.968 -170.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 46.9 t -123.57 -41.4 2.27 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 119.072 1.436 . . . . 0.0 111.778 -179.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.7 t -68.38 -7.11 28.55 Favored 'General case' 0 N--CA 1.503 2.179 0 N-CA-C 120.716 3.598 . . . . 0.0 120.716 -108.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 70.3 m -72.45 -28.36 62.89 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 158.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.37 83.25 3.81 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-N 121.001 1.728 . . . . 0.0 113.014 -160.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.7 m -71.8 16.45 0.12 Allowed 'General case' 0 CA--C 1.577 2.01 0 N-CA-C 121.12 3.748 . . . . 0.0 121.12 -174.508 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.9 t -14.2 -36.71 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.737 0 N-CA-C 119.871 3.286 . . . . 0.0 119.871 153.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.28 0.1 OUTLIER -106.57 -72.23 0.72 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 125.81 1.644 . . . . 0.0 112.952 -167.289 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 8.5 mm100 3.12 142.31 0.0 OUTLIER 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 129.457 3.103 . . . . 0.0 118.73 149.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 58.7 ttp85 -134.0 110.77 9.88 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 103.285 -2.857 . . . . 0.0 103.285 178.335 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 120.163 -1.586 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 33.1 m170 . . . . . 0 CA--C 1.603 3.014 0 CA-C-O 114.453 -2.689 . . . . 0.0 111.873 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . 0.34 0.8 OUTLIER -59.05 -50.41 74.18 Favored 'General case' 0 CA--C 1.571 1.751 0 N-CA-C 117.22 2.304 . . . . 0.0 117.22 174.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.7 -1.85 10.22 Favored 'General case' 0 N--CA 1.534 3.743 0 N-CA-C 121.037 3.717 . . . . 0.0 121.037 -162.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.557 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.4 OUTLIER -71.97 169.06 16.7 Favored 'General case' 0 CA--C 1.567 1.616 0 C-N-CA 127.073 2.149 . . . . 0.0 111.853 163.084 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.557 ' H ' HD13 ' A' ' 6' ' ' LEU . 80.3 m-85 76.49 -7.49 1.82 Allowed 'General case' 0 N--CA 1.515 2.79 0 C-N-CA 128.959 2.904 . . . . 0.0 116.248 173.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 70.42 21.22 77.41 Favored Glycine 0 CA--C 1.555 2.553 0 CA-C-O 116.572 -2.238 . . . . 0.0 118.239 -177.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 38.8 tptt -139.55 152.35 46.83 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-N 120.348 2.074 . . . . 0.0 106.815 -177.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.33 64.9 m -84.78 96.06 9.15 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 125.044 1.337 . . . . 0.0 114.313 -160.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.7 ptp180 -116.25 136.68 52.79 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.488 1.915 . . . . 0.0 108.092 173.164 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -129.64 80.69 1.98 Allowed 'General case' 0 CA--C 1.57 1.75 0 C-N-CA 128.071 2.548 . . . . 0.0 108.299 171.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -117.72 179.24 4.13 Favored 'General case' 0 CA--C 1.592 2.573 0 CA-C-O 114.753 -2.546 . . . . 0.0 117.283 -162.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 76.3 59.64 3.28 Favored Glycine 0 CA--C 1.544 1.861 0 CA-C-N 111.787 -2.461 . . . . 0.0 116.804 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.465 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 37.2 t -123.52 -35.1 2.97 Favored 'General case' 0 CA--C 1.566 1.583 0 C-N-CA 126.514 1.926 . . . . 0.0 112.795 177.439 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 97.5 p -78.94 8.14 6.08 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.323 3.083 . . . . 0.0 119.323 -107.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 22.6 t -68.45 -14.87 63.3 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 157.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -72.37 88.13 1.18 Allowed 'General case' 0 N--CA 1.493 1.68 0 CA-C-N 121.122 1.783 . . . . 0.0 113.519 -163.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 58.6 m -71.75 -11.24 60.72 Favored 'General case' 0 CA--C 1.554 1.121 0 N-CA-C 117.583 2.438 . . . . 0.0 117.583 170.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.5 p -48.0 -4.43 0.01 OUTLIER 'General case' 0 CA--C 1.582 2.192 0 N-CA-C 120.38 3.474 . . . . 0.0 120.38 -171.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.26 35.9 t -76.64 -74.04 0.26 Allowed 'General case' 0 CA--C 1.569 1.681 0 C-N-CA 125.986 1.714 . . . . 0.0 112.67 167.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.4 mm100 -7.18 146.54 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.611 0 C-N-CA 130.969 3.708 . . . . 0.0 117.48 154.664 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -134.72 117.68 16.28 Favored 'General case' 0 N--CA 1.48 1.07 0 N-CA-C 104.63 -2.359 . . . . 0.0 104.63 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 119.67 -1.894 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 8.2 m170 . . . . . 0 CA--C 1.611 3.325 0 CA-C-O 114.924 -2.465 . . . . 0.0 108.612 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.8 t -59.34 -28.07 66.5 Favored 'General case' 0 N--CA 1.521 3.098 0 N-CA-C 115.569 1.692 . . . . 0.0 115.569 173.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -114.67 161.89 17.53 Favored 'General case' 0 N--CA 1.506 2.36 0 CA-C-O 122.021 0.915 . . . . 0.0 110.572 175.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -138.8 173.7 11.3 Favored 'General case' 0 CA--C 1.576 1.978 0 N-CA-C 103.791 -2.67 . . . . 0.0 103.791 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -56.87 -20.55 23.65 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 118.016 2.598 . . . . 0.0 118.016 166.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -147.57 -44.94 0.03 OUTLIER Glycine 0 CA--C 1.557 2.686 0 CA-C-O 115.361 -2.911 . . . . 0.0 118.785 -154.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.3 tptt -142.63 152.23 42.27 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.722 3.261 . . . . 0.0 108.559 -168.001 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . 0.35 63.7 m -90.73 139.79 30.39 Favored 'General case' 0 CA--C 1.548 0.875 0 N-CA-C 115.273 1.583 . . . . 0.0 115.273 -163.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.54 127.22 34.64 Favored 'General case' 0 CA--C 1.548 0.883 0 N-CA-C 106.501 -1.666 . . . . 0.0 106.501 159.42 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.0 ptp180 -110.99 86.05 2.24 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 127.101 2.16 . . . . 0.0 106.547 162.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -126.52 174.58 8.55 Favored 'General case' 0 CA--C 1.587 2.374 0 CA-C-O 114.823 -2.513 . . . . 0.0 116.559 -159.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.62 54.69 5.34 Favored Glycine 0 CA--C 1.545 1.966 0 CA-C-N 112.329 -2.214 . . . . 0.0 118.329 178.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 18.2 t -99.21 -32.18 11.35 Favored 'General case' 0 N--CA 1.491 1.614 0 C-N-CA 126.588 1.955 . . . . 0.0 113.169 164.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 34.3 t -79.08 6.4 9.6 Favored 'General case' 0 N--CA 1.497 1.9 0 N-CA-C 118.418 2.747 . . . . 0.0 118.418 -106.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.4 p -63.6 -44.73 93.14 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 115.021 1.489 . . . . 0.0 115.021 148.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.79 88.24 4.65 Favored 'General case' 0 C--N 1.366 1.294 0 CA-C-O 123.278 1.513 . . . . 0.0 110.641 -163.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -47.86 -64.13 0.87 Allowed 'General case' 0 N--CA 1.511 2.587 0 CA-C-N 113.414 -1.721 . . . . 0.0 112.754 168.401 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 21' ' ' CYS 0.281 12.3 t 19.75 34.55 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.881 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -163.338 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.275 1.3 t -134.98 -91.85 0.31 Allowed 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 105.043 -2.206 . . . . 0.0 105.043 -172.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 6.35 142.29 0.0 OUTLIER 'General case' 0 CA--C 1.57 1.721 0 C-N-CA 129.012 2.925 . . . . 0.0 118.533 140.36 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 70.2 ttt180 -134.68 110.34 9.21 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 103.118 -2.919 . . . . 0.0 103.118 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.502 0 O-C-N 120.239 -1.538 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 5.4 m170 . . . . . 0 CA--C 1.612 3.353 0 CA-C-O 115.026 -2.416 . . . . 0.0 108.8 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 8.1 t -65.53 -42.81 91.57 Favored 'General case' 0 N--CA 1.516 2.869 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 168.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -105.69 -1.0 25.04 Favored 'General case' 0 N--CA 1.529 3.51 0 N-CA-C 120.998 3.703 . . . . 0.0 120.998 -163.33 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 tt -94.06 145.98 24.28 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 126.054 1.742 . . . . 0.0 108.307 -168.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 70.85 -11.77 0.62 Allowed 'General case' 0 N--CA 1.519 2.98 0 C-N-CA 129.005 2.922 . . . . 0.0 118.03 -171.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 75.76 36.73 41.61 Favored Glycine 0 CA--C 1.539 1.546 0 N-CA-C 117.126 1.61 . . . . 0.0 117.126 156.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.5 ttpp -136.21 114.84 11.93 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 103.175 -2.898 . . . . 0.0 103.175 156.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.3 t -82.03 134.77 35.38 Favored 'General case' 0 CA--C 1.557 1.233 0 CA-C-O 118.108 -0.948 . . . . 0.0 112.412 -151.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.75 123.48 41.71 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.18 1.392 . . . . 0.0 107.5 167.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 ptm180 -95.26 83.77 3.93 Favored 'General case' 0 CA--C 1.566 1.559 0 CA-C-N 112.801 -2.0 . . . . 0.0 107.564 159.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.99 177.96 6.03 Favored 'General case' 0 CA--C 1.583 2.22 0 N-CA-C 116.71 2.115 . . . . 0.0 116.71 -159.344 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -174.27 42.74 0.14 Allowed Glycine 0 CA--C 1.546 2.0 0 CA-C-N 122.073 2.215 . . . . 0.0 117.2 -171.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 50.2 t -125.55 -40.32 2.09 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 119.26 1.53 . . . . 0.0 111.749 -177.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.0 t -67.27 -10.92 55.55 Favored 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 120.774 3.62 . . . . 0.0 120.774 -110.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 68.7 m -73.04 -26.03 61.15 Favored 'General case' 0 CA--C 1.567 1.619 0 N-CA-C 117.152 2.278 . . . . 0.0 117.152 161.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.67 86.46 2.72 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-N 120.279 1.399 . . . . 0.0 112.024 -161.417 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 39.4 m -66.51 2.06 1.44 Allowed 'General case' 0 N--CA 1.493 1.679 0 N-CA-C 119.826 3.269 . . . . 0.0 119.826 -179.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.0 t -34.92 -19.33 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.572 0 N-CA-C 119.273 3.064 . . . . 0.0 119.273 161.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.301 94.3 m -85.86 -70.98 0.56 Allowed 'General case' 0 CA--C 1.566 1.576 0 C-N-CA 125.955 1.702 . . . . 0.0 111.043 179.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -13.57 146.46 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.599 0 C-N-CA 130.336 3.455 . . . . 0.0 117.163 153.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.8 tpp85 -130.22 -68.04 0.72 Allowed 'General case' 0 N--CA 1.495 1.802 0 N-CA-C 108.053 -1.091 . . . . 0.0 108.053 177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.103 0 O-C-N 118.427 -2.67 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 10.7 m170 . . . . . 0 CA--C 1.611 3.321 0 CA-C-O 114.768 -2.539 . . . . 0.0 108.614 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.6 t -64.02 -43.44 95.6 Favored 'General case' 0 N--CA 1.514 2.727 0 N-CA-C 115.671 1.73 . . . . 0.0 115.671 170.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 t -107.41 0.85 23.2 Favored 'General case' 0 N--CA 1.531 3.616 0 N-CA-C 121.237 3.791 . . . . 0.0 121.237 -156.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.576 HD13 ' H ' ' A' ' 7' ' ' TYR . 1.0 OUTLIER -91.04 173.26 8.04 Favored 'General case' 0 CA--C 1.561 1.397 0 C-N-CA 126.549 1.94 . . . . 0.0 109.447 -171.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.576 ' H ' HD13 ' A' ' 6' ' ' LEU . 85.3 m-85 76.73 -3.49 2.51 Favored 'General case' 0 N--CA 1.518 2.948 0 C-N-CA 128.999 2.919 . . . . 0.0 116.209 173.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 82.66 -0.53 89.3 Favored Glycine 0 CA--C 1.55 2.23 0 N-CA-C 119.499 2.56 . . . . 0.0 119.499 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -137.76 121.32 17.27 Favored 'General case' 0 N--CA 1.505 2.301 0 N-CA-C 104.485 -2.413 . . . . 0.0 104.485 172.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 47.1 t -80.29 139.69 36.52 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-N 118.867 0.758 . . . . 0.0 112.642 -159.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -93.58 121.77 35.33 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 125.813 1.645 . . . . 0.0 107.714 163.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -101.19 84.52 2.66 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-N 112.452 -2.158 . . . . 0.0 107.186 163.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -177.61 3.57 Favored 'General case' 0 CA--C 1.59 2.484 0 N-CA-C 116.835 2.161 . . . . 0.0 116.835 -158.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.8 40.67 0.08 OUTLIER Glycine 0 CA--C 1.544 1.869 0 CA-C-N 122.513 2.415 . . . . 0.0 118.228 -167.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 51.0 t -125.45 -39.27 2.19 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-N 119.156 1.478 . . . . 0.0 112.217 -177.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 74.4 m -72.56 -1.86 17.6 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 120.33 3.455 . . . . 0.0 120.33 -110.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 57.1 m -72.77 -24.63 60.97 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 117.338 2.347 . . . . 0.0 117.338 157.448 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.538 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -71.03 85.22 0.71 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-N 121.528 1.967 . . . . 0.0 113.609 -158.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 30.7 t -66.83 2.39 1.43 Allowed 'General case' 0 N--CA 1.526 3.348 0 N-CA-C 121.634 3.939 . . . . 0.0 121.634 177.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.6 t -32.36 -28.57 0.01 OUTLIER 'General case' 0 CA--C 1.585 2.309 0 N-CA-C 117.332 2.345 . . . . 0.0 117.332 141.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.312 95.2 m -95.35 -74.77 0.54 Allowed 'General case' 0 CA--C 1.566 1.562 0 C-N-CA 124.909 1.283 . . . . 0.0 110.086 176.744 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 15.8 mm-40 -11.95 148.25 0.0 OUTLIER 'General case' 0 CA--C 1.567 1.609 0 C-N-CA 130.485 3.514 . . . . 0.0 117.263 153.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -129.01 -60.65 1.07 Allowed 'General case' 0 CA--C 1.566 1.589 0 C-N-CA 124.546 1.138 . . . . 0.0 109.715 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.34 0.166 0 O-C-N 118.074 -2.891 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 55.0 m170 . . . . . 0 CA--C 1.597 2.784 0 CA-C-O 114.591 -2.623 . . . . 0.0 112.65 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 5.7 t -68.48 -41.85 79.55 Favored 'General case' 0 N--CA 1.519 2.993 0 N-CA-C 116.383 1.994 . . . . 0.0 116.383 169.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.8 t -88.9 7.11 36.06 Favored 'General case' 0 N--CA 1.531 3.586 0 N-CA-C 120.584 3.55 . . . . 0.0 120.584 -157.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.7 tp -79.57 144.6 33.73 Favored 'General case' 0 CA--C 1.563 1.473 0 CA-C-N 112.777 -2.01 . . . . 0.0 110.125 -176.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -95.79 -30.99 13.4 Favored 'General case' 0 N--CA 1.498 1.927 0 N-CA-C 118.0 2.593 . . . . 0.0 118.0 -127.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -72.94 -35.24 58.21 Favored Glycine 0 CA--C 1.554 2.513 0 CA-C-O 115.781 -2.677 . . . . 0.0 117.828 -178.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -141.59 132.83 26.44 Favored 'General case' 0 N--CA 1.51 2.557 0 CA-C-N 121.514 2.657 . . . . 0.0 106.467 -178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 42.9 t -75.5 132.54 40.83 Favored 'General case' 0 CA--C 1.563 1.452 0 CA-C-O 118.388 -0.815 . . . . 0.0 111.739 -178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.09 128.57 52.71 Favored 'General case' 0 CA--C 1.548 0.878 0 N-CA-C 107.306 -1.368 . . . . 0.0 107.306 169.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.4 ptp180 -108.09 83.53 1.8 Allowed 'General case' 0 CA--C 1.567 1.601 0 C-N-CA 126.335 1.854 . . . . 0.0 106.664 156.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -121.18 176.02 5.81 Favored 'General case' 0 CA--C 1.583 2.225 0 N-CA-C 116.761 2.134 . . . . 0.0 116.761 -160.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -172.95 42.75 0.16 Allowed Glycine 0 CA--C 1.547 2.087 0 CA-C-N 121.998 2.181 . . . . 0.0 117.184 -173.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 44.4 t -126.89 -37.96 2.07 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 119.268 1.534 . . . . 0.0 112.201 -176.102 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 90.8 p -70.95 -2.1 14.13 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 121.04 3.719 . . . . 0.0 121.04 -110.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.7 p -65.34 -43.48 90.79 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 115.673 1.731 . . . . 0.0 115.673 151.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -79.13 87.21 4.89 Favored 'General case' 0 CA--C 1.554 1.107 0 CA-C-O 123.256 1.503 . . . . 0.0 110.216 -163.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 78.1 p -29.98 -57.21 0.18 Allowed 'General case' 0 N--CA 1.503 2.177 0 N-CA-C 116.592 2.071 . . . . 0.0 116.592 163.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -7.88 60.22 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.791 0 C-N-CA 129.695 3.198 . . . . 0.0 119.195 -164.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.542 ' H ' ' CG ' ' A' ' 23' ' ' GLN . 61.1 m -142.7 -52.39 0.39 Allowed 'General case' 0 CA--C 1.585 2.293 0 CA-C-N 111.499 -2.591 . . . . 0.0 113.256 -175.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.542 ' CG ' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -139.07 145.12 39.15 Favored 'General case' 0 N--CA 1.487 1.394 2 CA-C-N 129.529 5.604 . . . . 0.0 110.911 -31.496 . . . . . . . . 4 4 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 50.3 106.78 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.362 0 C-N-CA 126.868 2.067 . . . . 0.0 112.402 178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.472 0 O-C-N 120.041 -1.662 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 32.2 m170 . . . . . 0 CA--C 1.598 2.805 0 CA-C-O 114.598 -2.62 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 9.2 t -64.07 -36.9 85.51 Favored 'General case' 0 N--CA 1.516 2.842 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 171.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.6 t -105.67 -7.04 18.7 Favored 'General case' 0 N--CA 1.528 3.469 1 N-CA-C 122.302 4.186 . . . . 0.0 122.302 -166.405 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD13 ' H ' ' A' ' 7' ' ' TYR . 0.3 OUTLIER -94.74 170.29 9.55 Favored 'General case' 0 CA--C 1.562 1.442 0 C-N-CA 126.349 1.86 . . . . 0.0 109.102 -171.199 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.586 ' H ' HD13 ' A' ' 6' ' ' LEU . 85.9 m-85 75.39 -8.94 1.48 Allowed 'General case' 0 N--CA 1.517 2.92 0 C-N-CA 128.771 2.828 . . . . 0.0 116.47 173.187 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 90.32 17.38 53.18 Favored Glycine 0 CA--C 1.552 2.374 0 CA-C-O 116.627 -2.207 . . . . 0.0 117.944 169.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 23.7 ttpp -136.86 128.98 29.58 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.2 2.0 . . . . 0.0 105.914 179.396 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 49.9 t -73.51 115.15 12.56 Favored 'General case' 0 CA--C 1.572 1.794 0 CA-C-N 119.272 0.942 . . . . 0.0 112.413 -168.314 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.58 131.14 53.34 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 125.656 1.582 . . . . 0.0 107.933 173.333 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -112.81 86.6 2.4 Favored 'General case' 0 CA--C 1.566 1.572 0 C-N-CA 127.171 2.188 . . . . 0.0 106.87 161.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -122.62 -179.55 4.26 Favored 'General case' 0 CA--C 1.59 2.509 0 N-CA-C 116.831 2.16 . . . . 0.0 116.831 -159.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.04 38.21 0.09 OUTLIER Glycine 0 CA--C 1.546 1.987 0 CA-C-N 122.589 2.45 . . . . 0.0 118.31 -170.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.473 ' SG ' ' HB3' ' A' ' 19' ' ' ALA . 53.3 t -120.53 -37.73 2.98 Favored 'General case' 0 N--CA 1.496 1.834 0 CA-C-N 119.168 1.484 . . . . 0.0 111.878 -176.525 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 32.4 t -74.7 2.4 10.05 Favored 'General case' 0 N--CA 1.497 1.924 0 N-CA-C 119.583 3.179 . . . . 0.0 119.583 -109.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.1 p -64.74 -44.27 90.66 Favored 'General case' 0 CA--C 1.571 1.764 0 N-CA-C 115.212 1.56 . . . . 0.0 115.212 149.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . . . -78.57 88.16 4.51 Favored 'General case' 0 C--N 1.364 1.198 0 CA-C-O 123.805 1.764 . . . . 0.0 109.913 -165.038 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 77.3 p -37.87 -59.41 0.83 Allowed 'General case' 0 N--CA 1.498 1.956 0 CA-C-N 112.999 -1.909 . . . . 0.0 114.368 158.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.9 t 15.69 45.78 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.021 0 N-CA-C 119.745 3.239 . . . . 0.0 119.745 -176.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.625 ' H ' ' HG2' ' A' ' 23' ' ' GLN . 79.0 m -140.89 -53.06 0.48 Allowed 'General case' 0 CA--C 1.583 2.241 0 CA-C-O 115.502 -2.189 . . . . 0.0 113.687 -169.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.625 ' HG2' ' H ' ' A' ' 22' ' ' CYS . 0.0 OUTLIER -137.42 145.88 43.7 Favored 'General case' 0 N--CA 1.488 1.429 2 CA-C-N 129.289 5.495 . . . . 0.0 111.001 -35.48 . . . . . . . . 4 4 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 -138.88 117.74 12.38 Favored 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 104.555 -2.387 . . . . 0.0 104.555 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 119.651 -1.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' HIS . . . . . . . . . . . . . 49.2 m170 . . . . . 0 CA--C 1.596 2.731 0 CA-C-O 114.712 -2.566 . . . . 0.0 112.723 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 11' ' ' ARG . 8.7 t -75.28 -41.1 57.94 Favored 'General case' 0 N--CA 1.516 2.871 0 N-CA-C 115.428 1.64 . . . . 0.0 115.428 167.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 2.5 t -91.33 3.18 55.54 Favored 'General case' 0 N--CA 1.53 3.563 0 N-CA-C 120.59 3.552 . . . . 0.0 120.59 -160.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 50.5 tp -89.38 153.26 20.99 Favored 'General case' 0 N--CA 1.486 1.366 0 CA-C-N 113.416 -1.72 . . . . 0.0 110.568 -165.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 80.0 m-85 67.64 -6.0 0.73 Allowed 'General case' 0 N--CA 1.523 3.189 0 N-CA-C 118.775 2.88 . . . . 0.0 118.775 -175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 77.01 7.96 86.77 Favored Glycine 0 CA--C 1.551 2.291 0 N-CA-C 119.309 2.484 . . . . 0.0 119.309 -178.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 19.0 ttmm -122.34 120.05 32.89 Favored 'General case' 0 N--CA 1.502 2.167 0 N-CA-C 104.09 -2.559 . . . . 0.0 104.09 168.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 54.0 t -74.18 153.15 39.62 Favored 'General case' 0 CA--C 1.571 1.776 0 CA-C-O 117.926 -1.035 . . . . 0.0 113.544 -157.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.405 ' O ' ' SG ' ' A' ' 4' ' ' CYS . 1.0 OUTLIER -100.2 122.33 42.84 Favored 'General case' 0 C--N 1.364 1.196 0 N-CA-C 105.955 -1.868 . . . . 0.0 105.955 178.235 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . 0.267 12.9 ptm180 -91.2 74.06 6.23 Favored 'General case' 0 CA--C 1.564 1.494 0 C-N-CA 125.508 1.523 . . . . 0.0 109.731 164.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -130.2 164.1 25.23 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 113.882 -2.961 . . . . 0.0 118.332 -173.285 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 75.58 55.45 5.02 Favored Glycine 0 CA--C 1.544 1.865 0 N-CA-C 117.955 1.942 . . . . 0.0 117.955 -179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 29.5 t -77.65 -34.85 52.97 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 125.217 1.407 . . . . 0.0 113.542 151.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.8 t -73.29 -10.09 59.39 Favored 'General case' 0 N--CA 1.498 1.946 0 N-CA-C 118.975 2.954 . . . . 0.0 118.975 -111.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 60.5 m -73.07 -16.8 61.47 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 117.279 2.326 . . . . 0.0 117.279 164.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.31 88.52 0.06 Allowed 'General case' 0 CA--C 1.565 1.527 0 C-N-CA 125.472 1.509 . . . . 0.0 113.891 -165.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 47.0 t -69.8 8.66 0.65 Allowed 'General case' 0 N--CA 1.527 3.396 0 N-CA-C 120.983 3.697 . . . . 0.0 120.983 179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.2 t -27.29 -34.73 0.01 OUTLIER 'General case' 0 CA--C 1.591 2.538 0 N-CA-C 117.018 2.229 . . . . 0.0 117.018 127.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . . . . . . . . 0.338 76.1 m -109.13 -73.16 0.7 Allowed 'General case' 0 CA--C 1.568 1.666 0 C-N-CA 124.855 1.262 . . . . 0.0 109.86 -166.664 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 7.2 mm100 -8.73 147.73 0.0 OUTLIER 'General case' 0 CA--C 1.568 1.655 0 C-N-CA 130.379 3.472 . . . . 0.0 117.438 149.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 80.3 mtt180 -135.59 117.07 14.77 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 104.43 -2.433 . . . . 0.0 104.43 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.436 0 O-C-N 119.677 -1.89 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_