data_1gxx_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 1gxx _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 full ' A' A ' 1' ' ' LYS . . . . . 0.564 ' HZ3' ' CD ' ' A' ' 7' ' ' GLU . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 109.104 -0.702 . . . . 42.789999999999999 109.104 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 10.9 t -107.22 162.59 5.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 108.772 -0.825 . . . . 24.210000000000001 108.772 179.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -139.34 107.78 5.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.234 -0.916 . . . . 28.129999999999999 110.031 -178.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.25 169.36 40.1 Favored Glycine 0 N--CA 1.498 2.827 0 C-N-CA 120.0 -1.095 . . . . 22.390000000000001 110.959 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.668 ' NH1' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -51.96 -67.21 0.27 Allowed 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.817 -0.814 . . . . 27.859999999999999 111.365 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.49 -47.15 73.36 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.101 -0.999 . . . . 19.640000000000001 111.37 -179.045 -93.576 28.434 -117.335 104.453 2.017 105.093 -78.996 -60.923 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.564 ' CD ' ' HZ3' ' A' ' 1' ' ' LYS . 65.1 tt0 -56.91 -55.38 35.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.632 -1.292 . . . . 23.039999999999999 108.258 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.8 tp -55.87 -39.38 71.43 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.544 -0.722 . . . . 16.699999999999999 109.961 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -49.06 77.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.349 -0.844 . . . . 17.620000000000001 109.136 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.17 97.45 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.541 -0.911 . . . . 16.359999999999999 108.541 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.579 ' O ' ' ND1' ' A' ' 15' ' ' HIS . . . -61.39 -55.69 28.68 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.363 -0.606 . . . . 19.059999999999999 109.363 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.441 ' SD ' HD12 ' A' ' 17' ' ' LEU . 1.9 mmt -54.4 -29.2 48.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.335 -0.853 . . . . 19.460000000000001 110.313 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.653 ' NZ ' ' O ' ' A' ' 129' ' ' LEU . 3.9 ttmt -77.95 -48.7 15.68 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.848 -1.158 . . . . 47.700000000000003 109.255 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.539 ' NH1' ' NE2' ' A' ' 15' ' ' HIS . 3.6 tmm_? -58.39 -25.11 61.71 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.548 0.69 . . . . 57.229999999999997 109.251 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.614 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . 76.2 m80 -88.9 -18.1 28.24 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.739 0.78 . . . . 36.149999999999999 109.612 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.597 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . 78.5 48.81 7.07 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 107.735 -2.146 . . . . 28.710000000000001 107.735 -178.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.441 HD12 ' SD ' ' A' ' 12' ' ' MET . 4.4 mt -105.89 -30.9 9.07 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.621 0.724 . . . . 25.440000000000001 109.119 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 11.6 t0 -57.25 112.46 1.39 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.498 -0.751 . . . . 33.420000000000002 110.14 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.613 ' H ' ' HA ' ' A' ' 24' ' ' SER . 7.7 m-80 74.63 10.68 4.03 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.768 -0.583 . . . . 46.990000000000002 109.462 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CZ ' ' NH1' ' A' ' 21' ' ' ARG . 20.6 t80 -56.22 116.44 3.04 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.513 -1.291 . . . . 23.469999999999999 107.513 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' NH2' ' OG ' ' A' ' 100' ' ' SER . 0.0 OUTLIER 57.25 18.25 4.14 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.3 -0.875 . . . . 74.140000000000001 109.151 -177.838 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' SER . . . 102.62 -30.08 11.16 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.797 -1.321 . . . . 19.98 109.797 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.621 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 33.3 m-85 -57.97 84.74 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.962 -1.316 . . . . 13.619999999999999 110.64 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.613 ' HA ' ' H ' ' A' ' 19' ' ' ASN . 5.2 p -66.38 157.41 31.92 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.276 -0.89 . . . . 18.0 110.302 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -33.82 14.25 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.184 -0.948 . . . . 28.289999999999999 109.714 179.206 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.33 -42.2 73.47 Favored Glycine 0 N--CA 1.502 3.095 0 N-CA-C 109.379 -1.488 . . . . 13.1 109.379 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -69.65 -48.36 60.15 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.616 -0.932 . . . . 20.359999999999999 108.817 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TRP . . . . . 0.621 ' CE2' ' HB3' ' A' ' 23' ' ' TYR . 63.2 m95 -62.72 -48.5 78.95 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 116.33 -0.396 . . . . 16.41 110.19 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 123' ' ' TRP . 86.4 t -63.59 -54.75 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 C-N-CA 119.664 -0.814 . . . . 12.949999999999999 109.181 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.565 ' HB2' ' CD2' ' A' ' 123' ' ' TRP . 40.9 t -49.29 -51.54 33.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.784 -1.197 . . . . 12.33 109.527 178.271 177.694 -100.174 -79.242 103.756 2.014 104.03 -74.615 -39.477 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.59 -60.09 4.4 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.821 0.819 . . . . 16.32 109.986 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.1 -37.77 77.96 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.63 -0.669 . . . . 13.4 109.849 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.436 ' N ' ' O ' ' A' ' 29' ' ' VAL . 48.6 tptt -49.63 -68.99 0.13 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.892 -0.505 . . . . 39.049999999999997 111.084 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CG ' ' CZ ' ' A' ' 114' ' ' ARG . 34.9 m-85 -73.64 -22.19 60.06 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.208 -0.932 . . . . 22.600000000000001 111.197 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.439 ' HG2' ' CB ' ' A' ' 110' ' ' ALA . 22.2 mm-40 -72.51 -60.95 1.98 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.802 -1.186 . . . . 24.390000000000001 109.934 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 66.7 p -128.74 -0.78 5.42 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.93 -1.107 . . . . 18.359999999999999 110.391 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t30 60.11 46.36 10.74 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.733 -0.84 . . . . 37.380000000000003 108.733 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . 0.478 ' CZ ' HG12 ' A' ' 29' ' ' VAL . 1.3 m-85 49.95 64.72 1.66 Allowed 'General case' 0 N--CA 1.508 2.436 0 O-C-N 121.701 -0.625 . . . . 15.630000000000001 109.452 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -137.94 133.84 34.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.573 -0.705 . . . . 12.630000000000001 110.276 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 1' ' ' LYS . 10.8 p -90.46 28.28 1.51 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.818 -1.176 . . . . 16.050000000000001 109.155 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' THR . 11.4 mt-30 -139.99 -32.1 0.63 Allowed 'General case' 0 N--CA 1.509 2.481 0 O-C-N 121.007 -1.058 . . . . 18.239999999999998 109.775 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -52.55 96.78 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.655 -1.278 . . . . 13.390000000000001 109.096 179.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -98.49 148.97 23.2 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.745 0.783 . . . . 16.32 110.535 -178.814 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -116.62 173.44 6.62 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.505 -0.924 . . . . 38.039999999999999 108.505 179.187 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -137.23 132.13 33.38 Favored 'General case' 0 N--CA 1.523 3.221 0 O-C-N 121.115 -0.991 . . . . 48.469999999999999 110.862 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.487 HD22 ' CG ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -100.11 132.5 45.43 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.26 -0.9 . . . . 31.77 109.273 179.661 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.1 p -65.94 -40.65 91.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.318 -0.864 . . . . 39.75 111.011 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' OD2' ' NH2' ' A' ' 61' ' ' ARG . 7.5 p-10 -42.81 -34.41 0.93 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.081 -1.012 . . . . 28.16 110.11 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 132.56 34.04 0.37 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.864 -1.295 . . . . 20.739999999999998 109.864 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.2 p -138.39 174.44 10.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.555 -0.967 . . . . 13.49 109.662 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.493 ' HB ' ' OH ' ' A' ' 53' ' ' TYR . 85.9 m -140.89 152.02 44.74 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.173 -0.955 . . . . 10.65 108.73 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' CG ' HD22 ' A' ' 46' ' ' ASN . 2.2 m-20 -109.18 125.07 51.83 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 122.27 1.033 . . . . 25.93 110.521 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.652 ' OH ' ' NH2' ' A' ' 68' ' ' ARG . 2.0 m-85 -123.95 156.08 37.01 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.688 -1.227 . . . . 17.469999999999999 107.688 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLY . . . . . 0.539 ' H ' HD22 ' A' ' 84' ' ' LEU . . . 107.46 143.37 10.88 Favored Glycine 0 N--CA 1.499 2.859 0 N-CA-C 110.36 -1.096 . . . . 11.039999999999999 110.36 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 15.8 tt -44.28 -50.67 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.626 -0.926 . . . . 25.600000000000001 112.08 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.93 8.25 10.93 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.972 -1.08 . . . . 19.100000000000001 111.155 -178.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 64.02 106.54 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.333 -0.854 . . . . 16.210000000000001 109.186 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.765 HG23 ' SG ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -125.24 124.23 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 108.481 -0.933 . . . . 15.94 108.481 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . 0.414 ' OD1' ' HB3' ' A' ' 61' ' ' ARG . 15.6 t-20 -66.84 141.01 57.83 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.132 -0.98 . . . . 23.219999999999999 110.897 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' A' ' 64' ' ' CYS . 77.6 p -85.62 16.12 4.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.867 -0.521 . . . . 18.039999999999999 111.348 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.529 ' HB3' ' CD1' ' A' ' 62' ' ' TRP . 5.9 tpp180 -114.57 -47.99 2.88 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.156 -0.965 . . . . 73.370000000000005 110.25 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TRP . . . . . 0.648 ' N ' ' CD1' ' A' ' 62' ' ' TRP . 0.1 OUTLIER -108.91 -29.91 8.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.787 -1.196 . . . . 59.299999999999997 110.973 -178.545 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.435 ' HB2' HG21 ' A' ' 58' ' ' ILE . 2.2 m95 -90.48 -58.7 2.4 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.636 -1.29 . . . . 15.460000000000001 110.354 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.765 ' SG ' HG23 ' A' ' 58' ' ' ILE . 29.2 p -137.21 -175.13 3.95 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.666 -1.271 . . . . 15.43 111.238 -178.745 66.17 83.015 115.82 105.149 2.014 104.542 -66.608 -54.858 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 36.2 t-20 -128.96 158.57 38.47 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.904 -1.122 . . . . 37.229999999999997 109.942 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 25.8 p30 -125.59 -17.79 5.42 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.489 -0.757 . . . . 20.43 109.966 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.21 -5.03 58.92 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.645 -0.982 . . . . 30.149999999999999 110.645 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.652 ' NH2' ' OH ' ' A' ' 53' ' ' TYR . 21.7 ptt180 -124.71 -28.31 3.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.322 -1.105 . . . . 27.98 110.43 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 71' ' ' GLY . 30.1 m -45.04 111.4 1.28 Allowed Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.047 -1.033 . . . . 24.109999999999999 110.561 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -48.59 80.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.89 2.393 . . . . 40.630000000000003 112.273 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 69' ' ' THR . . . 88.52 104.92 0.99 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.765 -1.734 . . . . 44.289999999999999 108.765 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 34.2 t -132.3 154.33 49.8 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.886 -0.773 . . . . 40.32 109.486 -179.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -110.02 -60.56 1.78 Allowed 'General case' 0 C--N 1.292 -1.914 0 O-C-N 120.604 -1.31 . . . . 104.61 108.664 -179.748 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 77' ' ' ASN . 10.3 t-20 86.19 109.43 0.05 OUTLIER 'General case' 0 N--CA 1.509 2.491 0 CA-C-O 121.287 0.565 . . . . 22.140000000000001 110.695 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' A' ' 75' ' ' LEU . 2.9 mp -106.15 -14.61 15.1 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.027 -1.101 . . . . 26.600000000000001 108.027 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.631 ' O ' ' NZ ' ' A' ' 97' ' ' LYS . 9.2 t -94.32 -12.22 28.47 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.552 -0.907 . . . . 20.77 108.552 179.627 -163.516 168.598 154.546 103.551 2.022 105.114 59.876 178.381 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 0.4 OUTLIER 53.78 51.92 14.04 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 108.708 -0.849 . . . . 66.950000000000003 108.708 -178.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ILE . . . . . 0.544 HG12 ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -146.45 156.35 49.41 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 119.373 -0.931 . . . . 29.77 111.104 -178.622 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' PRO . . . . . 0.544 ' HD2' HG12 ' A' ' 78' ' ' ILE . 41.7 Cg_endo -80.66 115.94 3.15 Favored 'Trans proline' 0 N--CA 1.486 1.073 0 C-N-CA 123.212 2.608 . . . . 24.41 111.309 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 65' ' ' ASN . 58.6 m -51.19 -52.12 47.3 Favored 'General case' 0 C--O 1.166 -3.315 0 O-C-N 121.604 -0.685 . . . . 14.140000000000001 112.686 -178.419 -54.858 -66.608 115.82 104.542 2.014 105.149 83.015 66.17 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m -48.12 -39.36 20.24 Favored 'General case' 0 C--N 1.276 -2.612 0 O-C-N 118.797 -2.439 . . . . 20.77 110.331 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -23.18 50.36 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.11 -0.993 . . . . 18.66 110.489 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 44.3 mt -69.33 -6.89 32.56 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.945 -1.097 . . . . 19.699999999999999 109.564 179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.539 HD22 ' H ' ' A' ' 54' ' ' GLY . 18.7 mt -98.83 19.22 15.29 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.02 -1.05 . . . . 20.129999999999999 110.77 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . 0.455 ' OG ' ' N ' ' A' ' 86' ' ' SER . 24.3 t -53.31 178.16 0.02 OUTLIER 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 122.061 0.934 . . . . 21.559999999999999 110.455 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' OG ' ' A' ' 85' ' ' SER . 7.0 p -91.28 -10.55 41.04 Favored 'General case' 0 C--N 1.273 -2.728 0 N-CA-C 104.003 -2.592 . . . . 28.219999999999999 104.003 177.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . 0.473 ' CG ' ' HG1' ' A' ' 89' ' ' THR . 16.8 t0 -114.21 127.06 55.71 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 114.664 -1.153 . . . . 34.939999999999998 110.292 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.425 HG22 HD11 ' A' ' 88' ' ' ILE . 45.7 pt -57.77 -14.06 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.745 -1.222 . . . . 21.670000000000002 108.873 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.473 ' HG1' ' CG ' ' A' ' 87' ' ' ASP . 91.2 m -44.61 -42.12 7.15 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.791 -0.568 . . . . 19.350000000000001 110.38 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.41 -71.03 0.11 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.776 -1.203 . . . . 18.440000000000001 109.981 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.9 m -56.91 -42.28 79.64 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.369 -0.832 . . . . 18.57 110.106 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.3 t -58.13 -40.37 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 118.752 -1.179 . . . . 25.199999999999999 109.976 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.22 -49.89 73.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.485 -0.759 . . . . 42.640000000000001 109.135 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.617 ' SG ' HD13 ' A' ' 98' ' ' ILE . 43.1 t -68.68 -41.59 79.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.002 -1.061 . . . . 13.539999999999999 109.0 179.136 178.381 59.876 154.546 105.114 2.022 103.551 168.598 -163.516 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.38 65.65 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.53 -0.731 . . . . 14.15 109.52 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.614 ' NZ ' ' O ' ' A' ' 15' ' ' HIS . 28.5 mttt -55.55 -23.73 28.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.659 -0.651 . . . . 21.23 109.63 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.631 ' NZ ' ' O ' ' A' ' 76' ' ' CYS . 2.2 ttpm? -89.83 -47.68 7.73 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.019 -1.104 . . . . 62.530000000000001 108.019 178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.617 HD13 ' SG ' ' A' ' 94' ' ' CYS . 62.9 mt -59.06 -45.44 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.708 -0.62 . . . . 20.68 109.905 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 9.5 p -67.33 45.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.927 -1.108 . . . . 19.91 109.602 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . 0.622 ' OG ' ' NH2' ' A' ' 21' ' ' ARG . 1.4 m -155.65 24.72 0.39 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.973 -1.08 . . . . 23.460000000000001 109.482 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.553 ' CG ' ' H ' ' A' ' 102' ' ' GLY . 17.3 p-10 -91.03 -54.71 3.84 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 122.235 1.017 . . . . 42.049999999999997 109.257 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLY . . . . . 0.553 ' H ' ' CG ' ' A' ' 101' ' ' ASP . . . 160.56 -32.27 0.39 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 107.6 -2.2 . . . . 26.66 107.6 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -89.03 -26.72 21.29 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.5 -0.926 . . . . 54.109999999999999 108.5 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 59.89 -125.29 38.63 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.422 -1.471 . . . . 15.800000000000001 109.422 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' MET . . . . . 0.521 ' O ' ' N ' ' A' ' 107' ' ' ALA . 12.1 mtp -93.55 3.46 55.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.087 -1.243 . . . . 17.5 110.588 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . 0.451 ' OD1' ' NZ ' ' A' ' 116' ' ' LYS . 63.4 m-80 -66.11 47.44 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.61 -1.306 . . . . 14.050000000000001 110.391 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . 0.521 ' N ' ' O ' ' A' ' 105' ' ' MET . . . -148.35 -46.92 0.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 123.093 1.425 . . . . 17.449999999999999 108.947 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TRP . . . . . . . . . . . . . 10.4 m-90 -54.97 108.09 0.37 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 119.736 -1.852 . . . . 23.02 108.578 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' VAL . . . . . . . . . . . . . 6.3 p -47.39 -49.61 8.74 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.757 0 CA-C-N 114.531 -1.213 . . . . 31.469999999999999 112.417 -178.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.439 ' CB ' ' HG2' ' A' ' 35' ' ' GLU . . . -57.67 -60.81 3.12 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 119.992 -1.692 . . . . 13.460000000000001 109.643 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' TRP . . . . . 0.766 ' HA ' ' SG ' ' A' ' 115' ' ' CYS . 74.3 t90 -56.25 -45.48 80.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.449 -0.782 . . . . 16.460000000000001 109.583 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.465 HH11 ' HG3' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -38.83 -52.56 1.73 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 112.762 0.653 . . . . 44.850000000000001 112.762 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.13 -29.69 5.17 Favored 'General case' 0 N--CA 1.514 2.728 0 O-C-N 120.575 -1.328 . . . . 19.550000000000001 111.78 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.421 ' CZ ' ' CG ' ' A' ' 34' ' ' PHE . 36.8 mtp180 -74.74 -21.76 59.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.773 -1.204 . . . . 22.800000000000001 109.914 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' CYS . . . . . 0.766 ' SG ' ' HA ' ' A' ' 111' ' ' TRP . 3.8 m -122.72 -52.31 1.91 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.064 -1.023 . . . . 16.550000000000001 110.289 -179.528 -39.477 -74.615 -79.242 104.03 2.014 103.756 -100.174 177.694 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' A' ' 106' ' ' ASN . 14.7 ttpt -66.89 62.85 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.355 -0.841 . . . . 13.76 109.509 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 115' ' ' CYS . . . 149.14 6.1 0.22 Allowed Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.454 -1.058 . . . . 28.98 110.454 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.403 ' OG1' ' N ' ' A' ' 119' ' ' ASP . 44.3 p -117.92 -103.47 0.41 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.16 -1.2 . . . . 21.239999999999998 109.508 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.685 ' O ' ' NE1' ' A' ' 123' ' ' TRP . 0.2 OUTLIER -140.07 156.51 46.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.801 -1.187 . . . . 45.649999999999999 108.849 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . 0.45 ' HA ' ' CD1' ' A' ' 123' ' ' TRP . 18.3 m -123.55 20.14 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.324 -0.86 . . . . 23.640000000000001 110.411 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLN . . . . . 0.508 ' H ' ' CG ' ' A' ' 119' ' ' ASP . 35.0 mt-30 -110.21 -37.39 5.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.302 -0.873 . . . . 77.719999999999999 109.476 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.668 ' O ' ' NH1' ' A' ' 5' ' ' ARG . . . -60.1 -10.21 4.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.412 -0.805 . . . . 25.469999999999999 110.603 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' TRP . . . . . 0.685 ' NE1' ' O ' ' A' ' 119' ' ' ASP . 0.4 OUTLIER -104.79 2.78 30.5 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.177 -0.952 . . . . 23.510000000000002 110.175 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 125' ' ' ARG . 3.1 pt -134.36 -32.97 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.336 -0.852 . . . . 24.41 109.272 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ARG . . . . . 0.624 ' O ' ' NH2' ' A' ' 5' ' ' ARG . 5.4 mmt180 -33.42 129.11 0.29 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.525 -0.734 . . . . 107.61 110.855 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . 0.541 ' O ' ' N ' ' A' ' 128' ' ' ARG . . . 107.4 -74.99 0.21 Allowed Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.215 -1.554 . . . . 29.350000000000001 109.215 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' CYS . . . . . 0.537 ' O ' ' N ' ' A' ' 129' ' ' LEU . 77.3 m -67.06 59.35 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.213 -1.169 . . . . 21.359999999999999 108.698 179.403 -60.923 -78.996 -117.335 105.093 2.017 104.453 28.434 -93.576 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.541 ' N ' ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER -62.62 60.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.438 0.637 . . . . 75.780000000000001 110.2 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.653 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.297 -1.679 0 CA-C-O 117.972 -1.013 . . . . 66.939999999999998 108.682 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 109.104 -0.702 . . . . 42.789999999999999 109.104 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 3' ' ' PHE . 10.9 t -107.22 162.59 5.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 108.772 -0.825 . . . . 24.210000000000001 108.772 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.4 ' N ' HG12 ' A' ' 2' ' ' VAL . 2.9 m-85 -139.34 107.78 5.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.234 -0.916 . . . . 28.129999999999999 110.031 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.25 169.36 40.1 Favored Glycine 0 N--CA 1.498 2.827 0 C-N-CA 120.0 -1.095 . . . . 22.390000000000001 110.959 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.668 ' NH1' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -51.96 -67.21 0.27 Allowed 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.817 -0.814 . . . . 27.859999999999999 111.365 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.49 -47.15 73.36 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.101 -0.999 . . . . 19.640000000000001 111.37 -179.045 -93.576 28.434 -117.335 104.453 2.017 105.093 -78.996 -60.923 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.56 ' OE2' ' NZ ' ' A' ' 1' ' ' LYS . 65.1 tt0 -56.91 -55.38 35.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.632 -1.292 . . . . 23.039999999999999 108.258 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.503 HD23 HG22 ' A' ' 29' ' ' VAL . 10.8 tp -55.87 -39.38 71.43 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.544 -0.722 . . . . 16.699999999999999 109.961 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -49.06 77.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.349 -0.844 . . . . 17.620000000000001 109.136 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.17 97.45 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.541 -0.911 . . . . 16.359999999999999 108.541 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.579 ' O ' ' ND1' ' A' ' 15' ' ' HIS . . . -61.39 -55.69 28.68 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.363 -0.606 . . . . 19.059999999999999 109.363 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.601 ' HG3' HD21 ' A' ' 25' ' ' LEU . 1.9 mmt -54.4 -29.2 48.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.335 -0.853 . . . . 19.460000000000001 110.313 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.653 ' NZ ' ' O ' ' A' ' 129' ' ' LEU . 3.9 ttmt -77.95 -48.7 15.68 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.848 -1.158 . . . . 47.700000000000003 109.255 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.539 ' NH1' ' NE2' ' A' ' 15' ' ' HIS . 3.6 tmm_? -58.39 -25.11 61.71 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.548 0.69 . . . . 57.229999999999997 109.251 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.756 ' HB3' HG11 ' A' ' 92' ' ' VAL . 76.2 m80 -88.9 -18.1 28.24 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.739 0.78 . . . . 36.149999999999999 109.612 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.597 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . 78.5 48.81 7.07 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 107.735 -2.146 . . . . 28.710000000000001 107.735 -178.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.508 HD13 ' SD ' ' A' ' 12' ' ' MET . 4.4 mt -105.89 -30.9 9.07 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.621 0.724 . . . . 25.440000000000001 109.119 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 11.6 t0 -57.25 112.46 1.39 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.498 -0.751 . . . . 33.420000000000002 110.14 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.697 ' H ' ' HA ' ' A' ' 24' ' ' SER . 7.7 m-80 74.63 10.68 4.03 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.768 -0.583 . . . . 46.990000000000002 109.462 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CZ ' ' NH1' ' A' ' 21' ' ' ARG . 20.6 t80 -56.22 116.44 3.04 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.513 -1.291 . . . . 23.469999999999999 107.513 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' NH2' ' OG ' ' A' ' 100' ' ' SER . 0.0 OUTLIER 57.25 18.25 4.14 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.3 -0.875 . . . . 74.140000000000001 109.151 -177.838 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' SER . . . 102.62 -30.08 11.16 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.797 -1.321 . . . . 19.98 109.797 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.649 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 33.3 m-85 -57.97 84.74 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.962 -1.316 . . . . 13.619999999999999 110.64 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.697 ' HA ' ' H ' ' A' ' 19' ' ' ASN . 5.2 p -66.38 157.41 31.92 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.276 -0.89 . . . . 18.0 110.302 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD21 ' HG3' ' A' ' 12' ' ' MET . 0.5 OUTLIER -49.33 -33.82 14.25 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.184 -0.948 . . . . 28.289999999999999 109.714 179.206 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.33 -42.2 73.47 Favored Glycine 0 N--CA 1.502 3.095 0 N-CA-C 109.379 -1.488 . . . . 13.1 109.379 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -69.65 -48.36 60.15 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.616 -0.932 . . . . 20.359999999999999 108.817 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TRP . . . . . 0.649 ' CE2' ' HB3' ' A' ' 23' ' ' TYR . 63.2 m95 -62.72 -48.5 78.95 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 116.33 -0.396 . . . . 16.41 110.19 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.664 HG13 ' CZ ' ' A' ' 38' ' ' PHE . 86.4 t -63.59 -54.75 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 C-N-CA 119.664 -0.814 . . . . 12.949999999999999 109.181 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 123' ' ' TRP . 40.9 t -49.29 -51.54 33.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.784 -1.197 . . . . 12.33 109.527 178.271 177.694 -100.174 -79.242 103.756 2.014 104.03 -74.615 -39.477 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.59 -60.09 4.4 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.821 0.819 . . . . 16.32 109.986 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.1 -37.77 77.96 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.63 -0.669 . . . . 13.4 109.849 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -49.63 -68.99 0.13 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.892 -0.505 . . . . 39.049999999999997 111.084 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CG ' ' CZ ' ' A' ' 114' ' ' ARG . 34.9 m-85 -73.64 -22.19 60.06 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.208 -0.932 . . . . 22.600000000000001 111.197 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HG2' ' HB3' ' A' ' 110' ' ' ALA . 22.2 mm-40 -72.51 -60.95 1.98 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.802 -1.186 . . . . 24.390000000000001 109.934 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 66.7 p -128.74 -0.78 5.42 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.93 -1.107 . . . . 18.359999999999999 110.391 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t30 60.11 46.36 10.74 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.733 -0.84 . . . . 37.380000000000003 108.733 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . 0.664 ' CZ ' HG13 ' A' ' 29' ' ' VAL . 1.3 m-85 49.95 64.72 1.66 Allowed 'General case' 0 N--CA 1.508 2.436 0 O-C-N 121.701 -0.625 . . . . 15.630000000000001 109.452 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -137.94 133.84 34.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.573 -0.705 . . . . 12.630000000000001 110.276 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 1' ' ' LYS . 10.8 p -90.46 28.28 1.51 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.818 -1.176 . . . . 16.050000000000001 109.155 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' THR . 11.4 mt-30 -139.99 -32.1 0.63 Allowed 'General case' 0 N--CA 1.509 2.481 0 O-C-N 121.007 -1.058 . . . . 18.239999999999998 109.775 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 36' ' ' SER . . . -52.55 96.78 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.655 -1.278 . . . . 13.390000000000001 109.096 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -98.49 148.97 23.2 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.745 0.783 . . . . 16.32 110.535 -178.814 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 51' ' ' THR . 0.7 OUTLIER -116.62 173.44 6.62 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.505 -0.924 . . . . 38.039999999999999 108.505 179.187 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -137.23 132.13 33.38 Favored 'General case' 0 N--CA 1.523 3.221 0 O-C-N 121.115 -0.991 . . . . 48.469999999999999 110.862 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.511 HD21 ' CG ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -100.11 132.5 45.43 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.26 -0.9 . . . . 31.77 109.273 179.661 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.1 p -65.94 -40.65 91.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.318 -0.864 . . . . 39.75 111.011 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.518 ' OD2' ' NH2' ' A' ' 61' ' ' ARG . 7.5 p-10 -42.81 -34.41 0.93 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.081 -1.012 . . . . 28.16 110.11 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 132.56 34.04 0.37 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.864 -1.295 . . . . 20.739999999999998 109.864 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.2 p -138.39 174.44 10.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.555 -0.967 . . . . 13.49 109.662 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.507 ' HB ' ' OH ' ' A' ' 53' ' ' TYR . 85.9 m -140.89 152.02 44.74 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.173 -0.955 . . . . 10.65 108.73 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.511 ' CG ' HD21 ' A' ' 46' ' ' ASN . 2.2 m-20 -109.18 125.07 51.83 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 122.27 1.033 . . . . 25.93 110.521 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.652 ' OH ' ' NH2' ' A' ' 68' ' ' ARG . 2.0 m-85 -123.95 156.08 37.01 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.688 -1.227 . . . . 17.469999999999999 107.688 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLY . . . . . 0.577 ' H ' HD21 ' A' ' 84' ' ' LEU . . . 107.46 143.37 10.88 Favored Glycine 0 N--CA 1.499 2.859 0 N-CA-C 110.36 -1.096 . . . . 11.039999999999999 110.36 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 56' ' ' LEU . 15.8 tt -44.28 -50.67 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.626 -0.926 . . . . 25.600000000000001 112.08 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.584 ' N ' HG23 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -81.93 8.25 10.93 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.972 -1.08 . . . . 19.100000000000001 111.155 -178.166 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 64.02 106.54 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.333 -0.854 . . . . 16.210000000000001 109.186 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.712 HG22 ' SG ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -125.24 124.23 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 108.481 -0.933 . . . . 15.94 108.481 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . 0.437 ' OD1' ' HB3' ' A' ' 61' ' ' ARG . 15.6 t-20 -66.84 141.01 57.83 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.132 -0.98 . . . . 23.219999999999999 110.897 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 64' ' ' CYS . 77.6 p -85.62 16.12 4.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.867 -0.521 . . . . 18.039999999999999 111.348 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.531 ' HB3' ' CD1' ' A' ' 62' ' ' TRP . 5.9 tpp180 -114.57 -47.99 2.88 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.156 -0.965 . . . . 73.370000000000005 110.25 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TRP . . . . . 0.648 ' N ' ' CD1' ' A' ' 62' ' ' TRP . 0.1 OUTLIER -108.91 -29.91 8.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.787 -1.196 . . . . 59.299999999999997 110.973 -178.545 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.598 ' CZ3' HG23 ' A' ' 98' ' ' ILE . 2.2 m95 -90.48 -58.7 2.4 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.636 -1.29 . . . . 15.460000000000001 110.354 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.712 ' SG ' HG22 ' A' ' 58' ' ' ILE . 29.2 p -137.21 -175.13 3.95 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.666 -1.271 . . . . 15.43 111.238 -178.745 66.17 83.015 115.82 105.149 2.014 104.542 -66.608 -54.858 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . 0.585 ' HB2' HD22 ' A' ' 74' ' ' ASN . 36.2 t-20 -128.96 158.57 38.47 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.904 -1.122 . . . . 37.229999999999997 109.942 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 25.8 p30 -125.59 -17.79 5.42 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.489 -0.757 . . . . 20.43 109.966 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.21 -5.03 58.92 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.645 -0.982 . . . . 30.149999999999999 110.645 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.652 ' NH2' ' OH ' ' A' ' 53' ' ' TYR . 21.7 ptt180 -124.71 -28.31 3.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.322 -1.105 . . . . 27.98 110.43 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 71' ' ' GLY . 30.1 m -45.04 111.4 1.28 Allowed Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.047 -1.033 . . . . 24.109999999999999 110.561 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 69' ' ' THR . 2.9 Cg_endo -48.59 80.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.89 2.393 . . . . 40.630000000000003 112.273 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 69' ' ' THR . . . 88.52 104.92 0.99 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.765 -1.734 . . . . 44.289999999999999 108.765 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 60' ' ' SER . 34.2 t -132.3 154.33 49.8 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.886 -0.773 . . . . 40.32 109.486 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -110.02 -60.56 1.78 Allowed 'General case' 0 C--N 1.292 -1.914 0 O-C-N 120.604 -1.31 . . . . 104.61 108.664 -179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.585 HD22 ' HB2' ' A' ' 65' ' ' ASN . 10.3 t-20 86.19 109.43 0.05 OUTLIER 'General case' 0 N--CA 1.509 2.491 0 CA-C-O 121.287 0.565 . . . . 22.140000000000001 110.695 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' A' ' 75' ' ' LEU . 2.9 mp -106.15 -14.61 15.1 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.027 -1.101 . . . . 26.600000000000001 108.027 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.659 ' O ' ' NZ ' ' A' ' 97' ' ' LYS . 9.2 t -94.32 -12.22 28.47 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.552 -0.907 . . . . 20.77 108.552 179.627 -163.516 168.598 154.546 103.551 2.022 105.114 59.876 178.381 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 0.4 OUTLIER 53.78 51.92 14.04 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 108.708 -0.849 . . . . 66.950000000000003 108.708 -178.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ILE . . . . . 0.625 HG12 ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -146.45 156.35 49.41 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 119.373 -0.931 . . . . 29.77 111.104 -178.622 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 79' ' ' PRO . . . . . 0.625 ' HD2' HG12 ' A' ' 78' ' ' ILE . 41.7 Cg_endo -80.66 115.94 3.15 Favored 'Trans proline' 0 N--CA 1.486 1.073 0 C-N-CA 123.212 2.608 . . . . 24.41 111.309 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 65' ' ' ASN . 58.6 m -51.19 -52.12 47.3 Favored 'General case' 0 C--O 1.166 -3.315 0 O-C-N 121.604 -0.685 . . . . 14.140000000000001 112.686 -178.419 -54.858 -66.608 115.82 104.542 2.014 105.149 83.015 66.17 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m -48.12 -39.36 20.24 Favored 'General case' 0 C--N 1.276 -2.612 0 O-C-N 118.797 -2.439 . . . . 20.77 110.331 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -23.18 50.36 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.11 -0.993 . . . . 18.66 110.489 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 91' ' ' SER . 44.3 mt -69.33 -6.89 32.56 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.945 -1.097 . . . . 19.699999999999999 109.564 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.577 HD21 ' H ' ' A' ' 54' ' ' GLY . 18.7 mt -98.83 19.22 15.29 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.02 -1.05 . . . . 20.129999999999999 110.77 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . 0.471 ' O ' HG21 ' A' ' 40' ' ' THR . 24.3 t -53.31 178.16 0.02 OUTLIER 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 122.061 0.934 . . . . 21.559999999999999 110.455 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' OG ' ' A' ' 85' ' ' SER . 7.0 p -91.28 -10.55 41.04 Favored 'General case' 0 C--N 1.273 -2.728 0 N-CA-C 104.003 -2.592 . . . . 28.219999999999999 104.003 177.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' OD1' ' OG1' ' A' ' 89' ' ' THR . 16.8 t0 -114.21 127.06 55.71 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 114.664 -1.153 . . . . 34.939999999999998 110.292 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.418 ' CD1' ' HB1' ' A' ' 11' ' ' ALA . 45.7 pt -57.77 -14.06 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.745 -1.222 . . . . 21.670000000000002 108.873 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.451 ' OG1' ' OD1' ' A' ' 87' ' ' ASP . 91.2 m -44.61 -42.12 7.15 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.791 -0.568 . . . . 19.350000000000001 110.38 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.41 -71.03 0.11 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.776 -1.203 . . . . 18.440000000000001 109.981 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.436 ' HA ' HD22 ' A' ' 83' ' ' LEU . 57.9 m -56.91 -42.28 79.64 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.369 -0.832 . . . . 18.57 110.106 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.756 HG11 ' HB3' ' A' ' 15' ' ' HIS . 69.3 t -58.13 -40.37 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 118.752 -1.179 . . . . 25.199999999999999 109.976 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.22 -49.89 73.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.485 -0.759 . . . . 42.640000000000001 109.135 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.68 -41.59 79.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.002 -1.061 . . . . 13.539999999999999 109.0 179.136 178.381 59.876 154.546 105.114 2.022 103.551 168.598 -163.516 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.38 65.65 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.53 -0.731 . . . . 14.15 109.52 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.614 ' NZ ' ' O ' ' A' ' 15' ' ' HIS . 28.5 mttt -55.55 -23.73 28.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.659 -0.651 . . . . 21.23 109.63 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.659 ' NZ ' ' O ' ' A' ' 76' ' ' CYS . 2.2 ttpm? -89.83 -47.68 7.73 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.019 -1.104 . . . . 62.530000000000001 108.019 178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.598 HG23 ' CZ3' ' A' ' 63' ' ' TRP . 62.9 mt -59.06 -45.44 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.708 -0.62 . . . . 20.68 109.905 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.64 HG13 ' O ' ' A' ' 99' ' ' VAL . 9.5 p -67.33 45.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.927 -1.108 . . . . 19.91 109.602 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . 0.622 ' OG ' ' NH2' ' A' ' 21' ' ' ARG . 1.4 m -155.65 24.72 0.39 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.973 -1.08 . . . . 23.460000000000001 109.482 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' A' ' 102' ' ' GLY . 17.3 p-10 -91.03 -54.71 3.84 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 122.235 1.017 . . . . 42.049999999999997 109.257 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLY . . . . . 0.51 ' H ' ' CG ' ' A' ' 101' ' ' ASP . . . 160.56 -32.27 0.39 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 107.6 -2.2 . . . . 26.66 107.6 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -89.03 -26.72 21.29 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.5 -0.926 . . . . 54.109999999999999 108.5 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 59.89 -125.29 38.63 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.422 -1.471 . . . . 15.800000000000001 109.422 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' MET . . . . . 0.571 ' O ' ' N ' ' A' ' 107' ' ' ALA . 12.1 mtp -93.55 3.46 55.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.087 -1.243 . . . . 17.5 110.588 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.451 ' OD1' ' NZ ' ' A' ' 116' ' ' LYS . 63.4 m-80 -66.11 47.44 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.61 -1.306 . . . . 14.050000000000001 110.391 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 105' ' ' MET . . . -148.35 -46.92 0.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 123.093 1.425 . . . . 17.449999999999999 108.947 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TRP . . . . . 0.492 ' HH2' HG21 ' A' ' 98' ' ' ILE . 10.4 m-90 -54.97 108.09 0.37 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 119.736 -1.852 . . . . 23.02 108.578 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 110' ' ' ALA . 6.3 p -47.39 -49.61 8.74 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.757 0 CA-C-N 114.531 -1.213 . . . . 31.469999999999999 112.417 -178.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.487 ' HB3' ' HG2' ' A' ' 35' ' ' GLU . . . -57.67 -60.81 3.12 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 119.992 -1.692 . . . . 13.460000000000001 109.643 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' TRP . . . . . 0.756 ' HA ' ' SG ' ' A' ' 115' ' ' CYS . 74.3 t90 -56.25 -45.48 80.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.449 -0.782 . . . . 16.460000000000001 109.583 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.47 HH11 ' HG3' ' A' ' 112' ' ' ARG . 0.1 OUTLIER -38.83 -52.56 1.73 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 112.762 0.653 . . . . 44.850000000000001 112.762 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.13 -29.69 5.17 Favored 'General case' 0 N--CA 1.514 2.728 0 O-C-N 120.575 -1.328 . . . . 19.550000000000001 111.78 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.421 ' CZ ' ' CG ' ' A' ' 34' ' ' PHE . 36.8 mtp180 -74.74 -21.76 59.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.773 -1.204 . . . . 22.800000000000001 109.914 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' CYS . . . . . 0.756 ' SG ' ' HA ' ' A' ' 111' ' ' TRP . 3.8 m -122.72 -52.31 1.91 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.064 -1.023 . . . . 16.550000000000001 110.289 -179.528 -39.477 -74.615 -79.242 104.03 2.014 103.756 -100.174 177.694 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' A' ' 106' ' ' ASN . 14.7 ttpt -66.89 62.85 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.355 -0.841 . . . . 13.76 109.509 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 115' ' ' CYS . . . 149.14 6.1 0.22 Allowed Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.454 -1.058 . . . . 28.98 110.454 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 119' ' ' ASP . 44.3 p -117.92 -103.47 0.41 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.16 -1.2 . . . . 21.239999999999998 109.508 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.722 ' O ' ' NE1' ' A' ' 123' ' ' TRP . 0.2 OUTLIER -140.07 156.51 46.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.801 -1.187 . . . . 45.649999999999999 108.849 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.462 ' HA ' ' CD1' ' A' ' 123' ' ' TRP . 18.3 m -123.55 20.14 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.324 -0.86 . . . . 23.640000000000001 110.411 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLN . . . . . 0.558 ' H ' ' CG ' ' A' ' 119' ' ' ASP . 35.0 mt-30 -110.21 -37.39 5.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.302 -0.873 . . . . 77.719999999999999 109.476 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.668 ' O ' ' NH1' ' A' ' 5' ' ' ARG . . . -60.1 -10.21 4.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.412 -0.805 . . . . 25.469999999999999 110.603 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' TRP . . . . . 0.722 ' NE1' ' O ' ' A' ' 119' ' ' ASP . 0.4 OUTLIER -104.79 2.78 30.5 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.177 -0.952 . . . . 23.510000000000002 110.175 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 125' ' ' ARG . 3.1 pt -134.36 -32.97 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.336 -0.852 . . . . 24.41 109.272 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ARG . . . . . 0.624 ' O ' ' NH2' ' A' ' 5' ' ' ARG . 5.4 mmt180 -33.42 129.11 0.29 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.525 -0.734 . . . . 107.61 110.855 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . 0.57 ' O ' ' N ' ' A' ' 128' ' ' ARG . . . 107.4 -74.99 0.21 Allowed Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.215 -1.554 . . . . 29.350000000000001 109.215 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' CYS . . . . . 0.593 ' O ' ' N ' ' A' ' 129' ' ' LEU . 77.3 m -67.06 59.35 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.213 -1.169 . . . . 21.359999999999999 108.698 179.403 -60.923 -78.996 -117.335 105.093 2.017 104.453 28.434 -93.576 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER -62.62 60.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.438 0.637 . . . . 75.780000000000001 110.2 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.653 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.297 -1.679 0 CA-C-O 117.972 -1.013 . . . . 66.939999999999998 108.682 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.563 ' N ' ' OG1' ' A' ' 40' ' ' THR . 0.9 OUTLIER . . . . . 0 N--CA 1.496 1.875 0 N-CA-C 109.104 -0.702 . . . . 42.79 109.104 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 3' ' ' PHE . 10.9 t -107.22 162.59 5.6 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 N-CA-C 108.772 -0.825 . . . . 24.21 108.772 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.4 ' N ' HG12 ' A' ' 2' ' ' VAL . 2.9 m-85 -139.34 107.78 5.84 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.234 -0.916 . . . . 28.13 110.031 -178.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -68.25 169.36 40.1 Favored Glycine 0 N--CA 1.498 2.827 0 C-N-CA 120.0 -1.095 . . . . 22.39 110.959 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.668 ' NH1' ' O ' ' A' ' 122' ' ' ALA . 0.0 OUTLIER -51.96 -67.21 0.27 Allowed 'General case' 0 N--CA 1.505 2.316 0 O-C-N 121.817 -0.814 . . . . 27.86 111.365 179.566 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . . . . . . . . . 1.3 m -54.49 -47.15 73.36 Favored 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.101 -0.999 . . . . 19.64 111.37 -179.045 -93.576 28.434 -117.335 104.453 2.017 105.093 -78.996 -60.923 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.56 ' OE2' ' NZ ' ' A' ' 1' ' ' LYS . 65.1 tt0 -56.91 -55.38 35.34 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.632 -1.292 . . . . 23.04 108.258 178.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.503 HD23 HG22 ' A' ' 29' ' ' VAL . 10.8 tp -55.87 -39.38 71.43 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.544 -0.722 . . . . 16.7 109.961 -179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.19 -49.06 77.29 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.349 -0.844 . . . . 17.62 109.136 179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -61.72 -44.17 97.45 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.541 -0.911 . . . . 16.36 108.541 178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.579 ' O ' ' ND1' ' A' ' 15' ' ' HIS . . . -61.39 -55.69 28.68 Favored 'General case' 0 N--CA 1.486 1.369 0 N-CA-C 109.363 -0.606 . . . . 19.06 109.363 178.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.601 ' HG3' HD21 ' A' ' 25' ' ' LEU . 1.9 mmt -54.4 -29.2 48.14 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.335 -0.853 . . . . 19.46 110.313 179.443 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.653 ' NZ ' ' O ' ' A' ' 129' ' ' LEU . 3.9 ttmt -77.95 -48.7 15.68 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.848 -1.158 . . . . 47.7 109.255 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.539 ' NH1' ' NE2' ' A' ' 15' ' ' HIS . 3.6 tmm_? -58.39 -25.11 61.71 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-O 121.548 0.69 . . . . 57.23 109.251 179.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.756 ' HB3' HG11 ' A' ' 92' ' ' VAL . 76.2 m80 -88.9 -18.1 28.24 Favored 'General case' 0 N--CA 1.489 1.505 0 CA-C-O 121.739 0.78 . . . . 36.15 109.612 -179.809 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.597 ' O ' ' NZ ' ' A' ' 96' ' ' LYS . . . 78.5 48.81 7.07 Favored Glycine 0 N--CA 1.485 1.952 0 N-CA-C 107.735 -2.146 . . . . 28.71 107.735 -178.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.508 HD13 ' SD ' ' A' ' 12' ' ' MET . 4.4 mt -105.89 -30.9 9.07 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.621 0.724 . . . . 25.44 109.119 -178.57 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 19' ' ' ASN . 11.6 t0 -57.25 112.46 1.39 Allowed 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.498 -0.751 . . . . 33.42 110.14 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.697 ' H ' ' HA ' ' A' ' 24' ' ' SER . 7.7 m-80 74.63 10.68 4.03 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.768 -0.583 . . . . 46.99 109.462 179.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.48 ' CZ ' ' NH1' ' A' ' 21' ' ' ARG . 20.6 t80 -56.22 116.44 3.04 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.513 -1.291 . . . . 23.47 107.513 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.622 ' NH2' ' OG ' ' A' ' 100' ' ' SER . 0.0 OUTLIER 57.25 18.25 4.14 Favored 'General case' 0 C--N 1.306 -1.307 0 O-C-N 121.3 -0.875 . . . . 74.14 109.151 -177.838 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.472 ' O ' ' N ' ' A' ' 24' ' ' SER . . . 102.62 -30.08 11.16 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.797 -1.321 . . . . 19.98 109.797 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.649 ' HB3' ' CE2' ' A' ' 28' ' ' TRP . 33.3 m-85 -57.97 84.74 0.01 OUTLIER 'General case' 0 C--N 1.299 -1.59 0 O-C-N 120.962 -1.316 . . . . 13.62 110.64 -179.388 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.697 ' HA ' ' H ' ' A' ' 19' ' ' ASN . 5.2 p -66.38 157.41 31.92 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.276 -0.89 . . . . 18.0 110.302 179.311 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.601 HD21 ' HG3' ' A' ' 12' ' ' MET . 0.5 OUTLIER -49.33 -33.82 14.25 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.184 -0.948 . . . . 28.29 109.714 179.206 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -54.33 -42.2 73.47 Favored Glycine 0 N--CA 1.502 3.095 0 N-CA-C 109.379 -1.488 . . . . 13.1 109.379 179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -69.65 -48.36 60.15 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.616 -0.932 . . . . 20.36 108.817 178.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TRP . . . . . 0.649 ' CE2' ' HB3' ' A' ' 23' ' ' TYR . 63.2 m95 -62.72 -48.5 78.95 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 116.33 -0.396 . . . . 16.41 110.19 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.664 HG13 ' CZ ' ' A' ' 38' ' ' PHE . 86.4 t -63.59 -54.75 28.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.625 0 C-N-CA 119.664 -0.814 . . . . 12.95 109.181 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.563 ' HB2' ' CD2' ' A' ' 123' ' ' TRP . 40.9 t -49.29 -51.54 33.29 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.784 -1.197 . . . . 12.33 109.527 178.271 177.694 -100.174 -79.242 103.756 2.014 104.03 -74.615 -39.477 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -59.59 -60.09 4.4 Favored 'General case' 0 N--CA 1.491 1.624 0 CA-C-O 121.821 0.819 . . . . 16.32 109.986 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -59.1 -37.77 77.96 Favored 'General case' 0 C--N 1.303 -1.449 0 O-C-N 121.63 -0.669 . . . . 13.4 109.849 -179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 48.6 tptt -49.63 -68.99 0.13 Allowed 'General case' 0 N--CA 1.495 1.825 0 O-C-N 121.892 -0.505 . . . . 39.05 111.084 -179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CG ' ' CZ ' ' A' ' 114' ' ' ARG . 34.9 m-85 -73.64 -22.19 60.06 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.208 -0.932 . . . . 22.6 111.197 -177.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.487 ' HG2' ' HB3' ' A' ' 110' ' ' ALA . 22.2 mm-40 -72.51 -60.95 1.98 Allowed 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.802 -1.186 . . . . 24.39 109.934 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.528 ' HB2' ' HB3' ' A' ' 42' ' ' ALA . 66.7 p -128.74 -0.78 5.42 Favored 'General case' 0 N--CA 1.501 2.076 0 O-C-N 120.93 -1.107 . . . . 18.36 110.391 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 10.2 t30 60.11 46.36 10.74 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 108.733 -0.84 . . . . 37.38 108.733 -179.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . 0.664 ' CZ ' HG13 ' A' ' 29' ' ' VAL . 1.3 m-85 49.95 64.72 1.66 Allowed 'General case' 0 N--CA 1.508 2.436 0 O-C-N 121.701 -0.625 . . . . 15.63 109.452 -179.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -137.94 133.84 34.24 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.573 -0.705 . . . . 12.63 110.276 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.563 ' OG1' ' N ' ' A' ' 1' ' ' LYS . 10.8 p -90.46 28.28 1.51 Allowed 'General case' 0 N--CA 1.499 2.015 0 O-C-N 120.818 -1.176 . . . . 16.05 109.155 178.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.403 ' O ' ' N ' ' A' ' 43' ' ' THR . 11.4 mt-30 -139.99 -32.1 0.63 Allowed 'General case' 0 N--CA 1.509 2.481 0 O-C-N 121.007 -1.058 . . . . 18.24 109.775 179.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.528 ' HB3' ' HB2' ' A' ' 36' ' ' SER . . . -52.55 96.78 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.655 -1.278 . . . . 13.39 109.096 179.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' N ' ' O ' ' A' ' 41' ' ' GLN . 0.8 OUTLIER -98.49 148.97 23.2 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 121.745 0.783 . . . . 16.32 110.535 -178.814 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASN . . . . . 0.45 ' O ' HG23 ' A' ' 51' ' ' THR . 0.7 OUTLIER -116.62 173.44 6.62 Favored 'General case' 0 N--CA 1.499 1.98 0 N-CA-C 108.505 -0.924 . . . . 38.04 108.505 179.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 10.8 tpp180 -137.23 132.13 33.38 Favored 'General case' 0 N--CA 1.523 3.221 0 O-C-N 121.115 -0.991 . . . . 48.47 110.862 179.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.511 HD21 ' CG ' ' A' ' 52' ' ' ASP . 0.9 OUTLIER -100.11 132.5 45.43 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.26 -0.9 . . . . 31.77 109.273 179.661 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 77.1 p -65.94 -40.65 91.55 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.318 -0.864 . . . . 39.75 111.011 -179.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.518 ' OD2' ' NH2' ' A' ' 61' ' ' ARG . 7.5 p-10 -42.81 -34.41 0.93 Allowed 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.081 -1.012 . . . . 28.16 110.11 -179.148 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLY . . . . . . . . . . . . . . . 132.56 34.04 0.37 Allowed Glycine 0 N--CA 1.494 2.502 0 N-CA-C 109.864 -1.295 . . . . 20.74 109.864 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 93.2 p -138.39 174.44 10.54 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.555 -0.967 . . . . 13.49 109.662 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.507 ' HB ' ' OH ' ' A' ' 53' ' ' TYR . 85.9 m -140.89 152.02 44.74 Favored 'General case' 0 C--N 1.295 -1.794 0 O-C-N 121.173 -0.955 . . . . 10.65 108.73 179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.511 ' CG ' HD21 ' A' ' 46' ' ' ASN . 2.2 m-20 -109.18 125.07 51.83 Favored 'General case' 0 C--N 1.295 -1.769 0 CA-C-O 122.27 1.033 . . . . 25.93 110.521 -179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.652 ' OH ' ' NH2' ' A' ' 68' ' ' ARG . 2.0 m-85 -123.95 156.08 37.01 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.688 -1.227 . . . . 17.47 107.688 178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLY . . . . . 0.577 ' H ' HD21 ' A' ' 84' ' ' LEU . . . 107.46 143.37 10.88 Favored Glycine 0 N--CA 1.499 2.859 0 N-CA-C 110.36 -1.096 . . . . 11.04 110.36 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.584 HG23 ' N ' ' A' ' 56' ' ' LEU . 15.8 tt -44.28 -50.67 1.86 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.115 0 O-C-N 121.626 -0.926 . . . . 25.6 112.08 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.584 ' N ' HG23 ' A' ' 55' ' ' ILE . 0.6 OUTLIER -81.93 8.25 10.93 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.972 -1.08 . . . . 19.1 111.155 -178.166 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 5.0 mm-40 64.02 106.54 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.333 -0.854 . . . . 16.21 109.186 -179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.712 HG22 ' SG ' ' A' ' 64' ' ' CYS . 0.6 OUTLIER -125.24 124.23 66.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 108.481 -0.933 . . . . 15.94 108.481 179.721 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . 0.437 ' OD1' ' HB3' ' A' ' 61' ' ' ARG . 15.6 t-20 -66.84 141.01 57.83 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.132 -0.98 . . . . 23.22 110.897 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.539 ' HA ' ' O ' ' A' ' 64' ' ' CYS . 77.6 p -85.62 16.12 4.14 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.867 -0.521 . . . . 18.04 111.348 -179.296 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.531 ' HB3' ' CD1' ' A' ' 62' ' ' TRP . 5.9 tpp180 -114.57 -47.99 2.88 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 121.156 -0.965 . . . . 73.37 110.25 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TRP . . . . . 0.648 ' CD1' ' N ' ' A' ' 62' ' ' TRP . 0.1 OUTLIER -108.91 -29.91 8.38 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.787 -1.196 . . . . 59.3 110.973 -178.545 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.598 ' CZ3' HG23 ' A' ' 98' ' ' ILE . 2.2 m95 -90.48 -58.7 2.4 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.636 -1.29 . . . . 15.46 110.354 -179.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.712 ' SG ' HG22 ' A' ' 58' ' ' ILE . 29.2 p -137.21 -175.13 3.95 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 120.666 -1.271 . . . . 15.43 111.238 -178.745 66.17 83.015 115.82 105.149 2.014 104.542 -66.608 -54.858 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . 0.585 ' HB2' HD22 ' A' ' 74' ' ' ASN . 36.2 t-20 -128.96 158.57 38.47 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.904 -1.122 . . . . 37.23 109.942 179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' A' ' 65' ' ' ASN . 25.8 p30 -125.59 -17.79 5.42 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.489 -0.757 . . . . 20.43 109.966 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 99.21 -5.03 58.92 Favored Glycine 0 N--CA 1.495 2.567 0 N-CA-C 110.645 -0.982 . . . . 30.15 110.645 179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.652 ' NH2' ' OH ' ' A' ' 53' ' ' TYR . 21.7 ptt180 -124.71 -28.31 3.56 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 121.322 -1.105 . . . . 27.98 110.43 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 71' ' ' GLY . 30.1 m -45.04 111.4 1.28 Allowed Pre-proline 0 N--CA 1.498 1.942 0 O-C-N 121.047 -1.033 . . . . 24.11 110.561 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 69' ' ' THR . 2.9 Cg_endo -48.59 80.5 0.01 OUTLIER 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.89 2.393 . . . . 40.63 112.273 -179.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 69' ' ' THR . . . 88.52 104.92 0.99 Allowed Glycine 0 N--CA 1.49 2.263 0 N-CA-C 108.765 -1.734 . . . . 44.29 108.765 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.438 ' OG ' ' O ' ' A' ' 60' ' ' SER . 34.2 t -132.3 154.33 49.8 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.886 -0.773 . . . . 40.32 109.486 -179.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -110.02 -60.56 1.78 Allowed 'General case' 0 C--N 1.292 -1.914 0 O-C-N 120.604 -1.31 . . . . 104.61 108.664 -179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.585 HD22 ' HB2' ' A' ' 65' ' ' ASN . 10.3 t-20 86.19 109.43 0.05 OUTLIER 'General case' 0 N--CA 1.509 2.491 0 CA-C-O 121.287 0.565 . . . . 22.14 110.695 178.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' A' ' 75' ' ' LEU . 2.9 mp -106.15 -14.61 15.1 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.027 -1.101 . . . . 26.6 108.027 179.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.659 ' O ' ' NZ ' ' A' ' 97' ' ' LYS . 9.2 t -94.32 -12.22 28.47 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 108.552 -0.907 . . . . 20.77 108.552 179.627 -163.516 168.598 154.546 103.551 2.022 105.114 59.876 178.381 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.532 ' N ' ' OD1' ' A' ' 74' ' ' ASN . 0.4 OUTLIER 53.78 51.92 14.04 Favored 'General case' 0 N--CA 1.501 2.078 0 N-CA-C 108.708 -0.849 . . . . 66.95 108.708 -178.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ILE . . . . . 0.625 HG12 ' HD2' ' A' ' 79' ' ' PRO . 0.1 OUTLIER -146.45 156.35 49.41 Favored Pre-proline 0 N--CA 1.488 1.45 0 C-N-CA 119.373 -0.931 . . . . 29.77 111.104 -178.622 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' PRO . . . . . 0.625 ' HD2' HG12 ' A' ' 78' ' ' ILE . 41.7 Cg_endo -80.66 115.94 3.15 Favored 'Trans proline' 0 N--CA 1.486 1.073 0 C-N-CA 123.212 2.608 . . . . 24.41 111.309 178.668 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' CYS . . . . . 0.524 ' SG ' ' O ' ' A' ' 65' ' ' ASN . 58.6 m -51.19 -52.12 47.3 Favored 'General case' 0 C--O 1.166 -3.315 0 O-C-N 121.604 -0.685 . . . . 14.14 112.686 -178.419 -54.858 -66.608 115.82 104.542 2.014 105.149 83.015 66.17 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.6 m -48.12 -39.36 20.24 Favored 'General case' 0 C--N 1.276 -2.612 0 O-C-N 118.797 -2.439 . . . . 20.77 110.331 -178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -57.7 -23.18 50.36 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.11 -0.993 . . . . 18.66 110.489 179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 91' ' ' SER . 44.3 mt -69.33 -6.89 32.56 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.945 -1.097 . . . . 19.7 109.564 179.484 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.577 HD21 ' H ' ' A' ' 54' ' ' GLY . 18.7 mt -98.83 19.22 15.29 Favored 'General case' 0 C--N 1.309 -1.175 0 O-C-N 121.02 -1.05 . . . . 20.13 110.77 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . 0.471 ' O ' HG21 ' A' ' 40' ' ' THR . 24.3 t -53.31 178.16 0.02 OUTLIER 'General case' 0 C--O 1.195 -1.795 0 CA-C-O 122.061 0.934 . . . . 21.56 110.455 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.455 ' N ' ' OG ' ' A' ' 85' ' ' SER . 7.0 p -91.28 -10.55 41.04 Favored 'General case' 0 C--N 1.273 -2.728 0 N-CA-C 104.003 -2.592 . . . . 28.22 104.003 177.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.451 ' OD1' ' OG1' ' A' ' 89' ' ' THR . 16.8 t0 -114.21 127.06 55.71 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-N 114.664 -1.153 . . . . 34.94 110.292 177.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.418 ' CD1' ' HB1' ' A' ' 11' ' ' ALA . 45.7 pt -57.77 -14.06 2.93 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 120.745 -1.222 . . . . 21.67 108.873 179.342 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.451 ' OG1' ' OD1' ' A' ' 87' ' ' ASP . 91.2 m -44.61 -42.12 7.15 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.791 -0.568 . . . . 19.35 110.38 178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.41 -71.03 0.11 Allowed 'General case' 0 N--CA 1.503 2.2 0 O-C-N 120.776 -1.203 . . . . 18.44 109.981 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.436 ' HA ' HD22 ' A' ' 83' ' ' LEU . 57.9 m -56.91 -42.28 79.64 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.369 -0.832 . . . . 18.57 110.106 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.756 HG11 ' HB3' ' A' ' 15' ' ' HIS . 69.3 t -58.13 -40.37 76.9 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 118.752 -1.179 . . . . 25.2 109.976 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -62.22 -49.89 73.96 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.485 -0.759 . . . . 42.64 109.135 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 43.1 t -68.68 -41.59 79.0 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.002 -1.061 . . . . 13.54 109.0 179.136 178.381 59.876 154.546 105.114 2.022 103.551 168.598 -163.516 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.66 -52.38 65.65 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.53 -0.731 . . . . 14.15 109.52 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.614 ' NZ ' ' O ' ' A' ' 15' ' ' HIS . 28.5 mttt -55.55 -23.73 28.34 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.659 -0.651 . . . . 21.23 109.63 179.507 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.659 ' NZ ' ' O ' ' A' ' 76' ' ' CYS . 2.2 ttpm? -89.83 -47.68 7.73 Favored 'General case' 0 N--CA 1.49 1.553 0 N-CA-C 108.019 -1.104 . . . . 62.53 108.019 178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.598 HG23 ' CZ3' ' A' ' 63' ' ' TRP . 62.9 mt -59.06 -45.44 92.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.708 -0.62 . . . . 20.68 109.905 179.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.64 ' O ' HG13 ' A' ' 99' ' ' VAL . 9.5 p -67.33 45.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.923 0 O-C-N 120.927 -1.108 . . . . 19.91 109.602 -179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . 0.622 ' OG ' ' NH2' ' A' ' 21' ' ' ARG . 1.4 m -155.65 24.72 0.39 Allowed 'General case' 0 N--CA 1.495 1.777 0 O-C-N 120.973 -1.08 . . . . 23.46 109.482 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.51 ' CG ' ' H ' ' A' ' 102' ' ' GLY . 17.3 p-10 -91.03 -54.71 3.84 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-O 122.235 1.017 . . . . 42.05 109.257 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLY . . . . . 0.51 ' H ' ' CG ' ' A' ' 101' ' ' ASP . . . 160.56 -32.27 0.39 Allowed Glycine 0 N--CA 1.488 2.144 0 N-CA-C 107.6 -2.2 . . . . 26.66 107.6 -179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -89.03 -26.72 21.29 Favored 'General case' 0 N--CA 1.487 1.395 0 N-CA-C 108.5 -0.926 . . . . 54.11 108.5 178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 59.89 -125.29 38.63 Favored Glycine 0 N--CA 1.491 2.348 0 N-CA-C 109.422 -1.471 . . . . 15.8 109.422 -179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' MET . . . . . 0.571 ' O ' ' N ' ' A' ' 107' ' ' ALA . 12.1 mtp -93.55 3.46 55.49 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.087 -1.243 . . . . 17.5 110.588 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.451 ' OD1' ' NZ ' ' A' ' 116' ' ' LYS . 63.4 m-80 -66.11 47.44 0.03 OUTLIER 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.61 -1.306 . . . . 14.05 110.391 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' A' ' 105' ' ' MET . . . -148.35 -46.92 0.15 Allowed 'General case' 0 N--CA 1.493 1.684 0 CA-C-O 123.093 1.425 . . . . 17.45 108.947 179.384 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TRP . . . . . 0.492 ' HH2' HG21 ' A' ' 98' ' ' ILE . 10.4 m-90 -54.97 108.09 0.37 Allowed 'General case' 0 C--N 1.296 -1.72 0 O-C-N 119.736 -1.852 . . . . 23.02 108.578 179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 110' ' ' ALA . 6.3 p -47.39 -49.61 8.74 Favored 'Isoleucine or valine' 0 C--N 1.273 -2.757 0 CA-C-N 114.531 -1.213 . . . . 31.47 112.417 -178.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.487 ' HB3' ' HG2' ' A' ' 35' ' ' GLU . . . -57.67 -60.81 3.12 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 119.992 -1.692 . . . . 13.46 109.643 -178.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' TRP . . . . . 0.756 ' HA ' ' SG ' ' A' ' 115' ' ' CYS . 74.3 t90 -56.25 -45.48 80.0 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.449 -0.782 . . . . 16.46 109.583 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.47 ' HG3' HH11 ' A' ' 112' ' ' ARG . 0.1 OUTLIER -38.83 -52.56 1.73 Allowed 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 112.762 0.653 . . . . 44.85 112.762 179.625 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -119.13 -29.69 5.17 Favored 'General case' 0 N--CA 1.514 2.728 0 O-C-N 120.575 -1.328 . . . . 19.55 111.78 -177.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.421 ' CZ ' ' CG ' ' A' ' 34' ' ' PHE . 36.8 mtp180 -74.74 -21.76 59.18 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.773 -1.204 . . . . 22.8 109.914 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' CYS . . . . . 0.756 ' SG ' ' HA ' ' A' ' 111' ' ' TRP . 3.8 m -122.72 -52.31 1.91 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.064 -1.023 . . . . 16.55 110.289 -179.528 -39.477 -74.615 -79.242 104.03 2.014 103.756 -100.174 177.694 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' A' ' 106' ' ' ASN . 14.7 ttpt -66.89 62.85 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.355 -0.841 . . . . 13.76 109.509 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 115' ' ' CYS . . . 149.14 6.1 0.22 Allowed Glycine 0 N--CA 1.493 2.487 0 N-CA-C 110.454 -1.058 . . . . 28.98 110.454 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 119' ' ' ASP . 44.3 p -117.92 -103.47 0.41 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 121.16 -1.2 . . . . 21.24 109.508 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.722 ' O ' ' NE1' ' A' ' 123' ' ' TRP . 0.2 OUTLIER -140.07 156.51 46.55 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.801 -1.187 . . . . 45.65 108.849 -179.741 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.462 ' HA ' ' CD1' ' A' ' 123' ' ' TRP . 18.3 m -123.55 20.14 4.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.324 -0.86 . . . . 23.64 110.411 179.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLN . . . . . 0.558 ' H ' ' CG ' ' A' ' 119' ' ' ASP . 35.0 mt-30 -110.21 -37.39 5.56 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.302 -0.873 . . . . 77.72 109.476 179.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.668 ' O ' ' NH1' ' A' ' 5' ' ' ARG . . . -60.1 -10.21 4.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.412 -0.805 . . . . 25.47 110.603 -178.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' TRP . . . . . 0.722 ' NE1' ' O ' ' A' ' 119' ' ' ASP . 0.4 OUTLIER -104.79 2.78 30.5 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.177 -0.952 . . . . 23.51 110.175 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ILE . . . . . 0.464 ' O ' ' C ' ' A' ' 125' ' ' ARG . 3.1 pt -134.36 -32.97 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.858 0 O-C-N 121.336 -0.852 . . . . 24.41 109.272 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ARG . . . . . 0.624 ' O ' ' NH2' ' A' ' 5' ' ' ARG . 5.4 mmt180 -33.42 129.11 0.29 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.525 -0.734 . . . . 107.61 110.855 179.752 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . 0.57 ' O ' ' N ' ' A' ' 128' ' ' ARG . . . 107.4 -74.99 0.21 Allowed Glycine 0 N--CA 1.496 2.674 0 N-CA-C 109.215 -1.554 . . . . 29.35 109.215 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' CYS . . . . . 0.593 ' O ' ' N ' ' A' ' 129' ' ' LEU . 77.3 m -67.06 59.35 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.213 -1.169 . . . . 21.36 108.698 179.403 -60.923 -78.996 -117.335 105.093 2.017 104.453 28.434 -93.576 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.57 ' N ' ' O ' ' A' ' 126' ' ' GLY . 0.6 OUTLIER -62.62 60.11 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.456 0 CA-C-O 121.438 0.637 . . . . 75.78 110.2 -179.341 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.653 ' O ' ' NZ ' ' A' ' 13' ' ' LYS . 0.3 OUTLIER . . . . . 0 C--N 1.297 -1.679 0 CA-C-O 117.972 -1.013 . . . . 66.94 108.682 179.451 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_